Structures by: Brandenburg J. G.

Total: 328

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=11.77120Å   b=7.25820Å   c=12.92590Å

α=90°   β=94.9420°   γ=90°

C21H17Cl2NO2

C21H17Cl2NO2

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=8.85180Å   b=9.75630Å   c=12.74380Å

α=84.3700°   β=87.1370°   γ=67.0350°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=12.68050Å   b=6.59650Å   c=15.83980Å

α=90°   β=124.2050°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=13.33660Å   b=10.53200Å   c=7.68930Å

α=90°   β=90°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=10.41470Å   b=6.53750Å   c=16.10300Å

α=90°   β=93.2450°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=12.35480Å   b=12.75340Å   c=6.94900Å

α=90°   β=90°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=6.98580Å   b=12.30790Å   c=12.76340Å

α=90°   β=90°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=8.90260Å   b=19.93930Å   c=6.26770Å

α=90°   β=90°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=6.57090Å   b=8.05480Å   c=20.87830Å

α=90°   β=90°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=5.96280Å   b=9.22410Å   c=19.87840Å

α=90°   β=100.2660°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=8.64280Å   b=7.85580Å   c=16.23080Å

α=90°   β=101.9750°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=6.17120Å   b=9.41390Å   c=18.91330Å

α=90°   β=90°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=20.39050Å   b=7.58150Å   c=7.03990Å

α=90°   β=90°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=6.51490Å   b=8.17390Å   c=21.04450Å

α=90°   β=98.5020°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=9.78700Å   b=7.29490Å   c=15.83380Å

α=90°   β=95.0290°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=10.22420Å   b=7.50360Å   c=14.29580Å

α=90°   β=98.7550°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=14.21530Å   b=7.69060Å   c=19.76740Å

α=90°   β=90°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=17.50510Å   b=9.55270Å   c=6.59540Å

α=90°   β=90°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=7.11370Å   b=7.64430Å   c=10.25080Å

α=90°   β=99.9430°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=8.64560Å   b=9.32690Å   c=14.20780Å

α=90°   β=106.7900°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=19.49830Å   b=7.88330Å   c=14.38700Å

α=90°   β=98.7340°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=8.64860Å   b=6.43100Å   c=10.08370Å

α=90°   β=96.1130°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=6.38030Å   b=8.69020Å   c=20.28980Å

α=90°   β=90°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=12.30160Å   b=8.86130Å   c=19.64620Å

α=90°   β=90°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=14.12740Å   b=10.03020Å   c=7.69000Å

α=90°   β=90°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=7.98730Å   b=9.83690Å   c=14.42990Å

α=90°   β=90°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=7.77430Å   b=6.51820Å   c=10.76710Å

α=90°   β=91.0250°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=7.08710Å   b=20.52000Å   c=10.32690Å

α=90°   β=132.6230°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=7.02970Å   b=22.24950Å   c=8.71050Å

α=90°   β=123.1760°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=6.88680Å   b=8.35500Å   c=20.16750Å

α=90°   β=105.9470°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=7.43350Å   b=6.35570Å   c=11.68760Å

α=90°   β=90.2560°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=6.42690Å   b=12.81540Å   c=13.83070Å

α=90°   β=90°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=6.30790Å   b=7.46190Å   c=23.65020Å

α=90°   β=90°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=6.12130Å   b=16.83780Å   c=11.03440Å

α=90°   β=109.2070°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=8.61030Å   b=6.29320Å   c=20.81920Å

α=90°   β=96.9830°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=22.95410Å   b=7.52870Å   c=6.18570Å

α=90°   β=90°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=20.13370Å   b=6.48610Å   c=8.65230Å

α=90°   β=90°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=7.19990Å   b=7.55270Å   c=20.44380Å

α=90°   β=97.3960°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=22.81970Å   b=7.13080Å   c=7.04300Å

α=90°   β=90°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=7.08370Å   b=10.29900Å   c=9.44610Å

α=90°   β=127.2950°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=12.20710Å   b=9.39460Å   c=19.46970Å

α=90°   β=90°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=19.28770Å   b=9.94510Å   c=11.69850Å

α=90°   β=94.7330°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=12.57350Å   b=10.36510Å   c=8.21030Å

α=90°   β=90°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=13.29200Å   b=8.11190Å   c=21.08950Å

α=90°   β=90°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=7.19990Å   b=14.29640Å   c=12.26240Å

α=90°   β=120.8320°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=19.26430Å   b=9.74320Å   c=14.14750Å

α=90°   β=117.9220°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=7.93250Å   b=8.82320Å   c=15.89310Å

α=90°   β=103.9790°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=11.91070Å   b=10.34240Å   c=9.33910Å

α=90°   β=90°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=7.35860Å   b=18.80380Å   c=8.70510Å

α=90°   β=103.4510°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=10.90560Å   b=7.19590Å   c=13.97480Å

α=90°   β=98.8990°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=12.11830Å   b=8.48850Å   c=21.18380Å

α=90°   β=90°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=14.15600Å   b=7.58010Å   c=10.35560Å

α=90°   β=106.7840°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=7.56980Å   b=10.13990Å   c=27.63560Å

α=90°   β=90°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=6.49910Å   b=8.39960Å   c=10.39790Å

α=90°   β=92.9580°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=6.15260Å   b=20.13180Å   c=10.89680Å

α=90°   β=122.9890°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=9.53620Å   b=10.61970Å   c=10.61130Å

α=90°   β=91.2540°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=11.08890Å   b=9.31980Å   c=12.43430Å

α=90°   β=120.8010°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=8.35570Å   b=6.51280Å   c=11.21030Å

α=90°   β=114.8760°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=9.81050Å   b=11.67760Å   c=19.77620Å

α=90°   β=90°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=22.22000Å   b=6.83990Å   c=7.22470Å

α=90°   β=90°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=6.88490Å   b=8.16840Å   c=10.38980Å

α=90°   β=104.6350°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=11.02510Å   b=10.69030Å   c=19.18950Å

α=90°   β=90°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=6.78810Å   b=8.30590Å   c=19.84410Å

α=90°   β=90°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=7.18820Å   b=18.89350Å   c=9.56840Å

α=90°   β=121.1270°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=10.93220Å   b=10.51700Å   c=9.54140Å

α=90°   β=90°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=6.81420Å   b=21.49290Å   c=9.97630Å

α=90°   β=131.5980°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=19.27080Å   b=9.29110Å   c=6.32160Å

α=90°   β=90°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=9.98430Å   b=17.37870Å   c=6.55890Å

α=90°   β=90°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=13.79480Å   b=7.47570Å   c=10.84930Å

α=90°   β=91.0840°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=10.90760Å   b=7.00110Å   c=14.72370Å

α=90°   β=96.9800°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=9.87290Å   b=10.69110Å   c=20.63050Å

α=90°   β=90°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=11.05780Å   b=9.84440Å   c=11.68650Å

α=90°   β=118.7160°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=21.90110Å   b=7.09950Å   c=14.42620Å

α=90°   β=92.1120°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=6.82520Å   b=7.48620Å   c=21.64580Å

α=90°   β=97.5920°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=10.04420Å   b=14.22330Å   c=8.01520Å

α=90°   β=97.2640°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=7.27240Å   b=18.53580Å   c=9.67600Å

α=90°   β=121.2380°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=13.37080Å   b=10.38530Å   c=15.53850Å

α=90°   β=90°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=9.21970Å   b=12.75770Å   c=9.42120Å

α=90°   β=90°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=6.97370Å   b=9.34000Å   c=17.13530Å

α=90°   β=90°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=8.10820Å   b=21.22360Å   c=12.94540Å

α=90°   β=90°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=20.03420Å   b=12.35410Å   c=9.38210Å

α=90°   β=90°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=20.88110Å   b=7.15450Å   c=7.49740Å

α=90°   β=90°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=6.00270Å   b=10.02800Å   c=18.79850Å

α=90°   β=90°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=8.41280Å   b=6.50450Å   c=20.46010Å

α=90°   β=93.7480°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=6.17650Å   b=8.90090Å   c=11.09710Å

α=90°   β=112.4990°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=9.31070Å   b=9.08670Å   c=13.73890Å

α=90°   β=109.4230°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=9.68770Å   b=9.75210Å   c=12.03710Å

α=90°   β=90.2600°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=9.68750Å   b=6.07140Å   c=19.47660Å

α=90°   β=95.5640°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=12.69900Å   b=26.74220Å   c=8.64710Å

α=90°   β=132.6220°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=6.90260Å   b=7.15280Å   c=23.43300Å

α=90°   β=90°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=9.67890Å   b=7.14850Å   c=16.79070Å

α=90°   β=94.8680°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=6.09290Å   b=7.60630Å   c=23.27080Å

α=90°   β=90°   γ=90°

C8N4S3

C8N4S3

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=12.29380Å   b=10.55130Å   c=17.44010Å

α=90°   β=90°   γ=90°

C34H22Cl2N2O2

C34H22Cl2N2O2

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=10.54550Å   b=18.61090Å   c=13.96010Å

α=90°   β=109.5210°   γ=90°

C34H22Cl2N2O2

C34H22Cl2N2O2

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=10.54310Å   b=18.59260Å   c=13.94210Å

α=90°   β=109.1970°   γ=90°

C34H22Cl2N2O2

C34H22Cl2N2O2

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=10.55520Å   b=18.57640Å   c=13.98180Å

α=90°   β=109.6420°   γ=90°

C34H22Cl2N2O2

C34H22Cl2N2O2

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=11.87560Å   b=13.69640Å   c=15.85020Å

α=90°   β=97.3050°   γ=90°

C34H22Cl2N2O2

C34H22Cl2N2O2

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=13.47740Å   b=10.36620Å   c=18.40810Å

α=90°   β=99.7990°   γ=90°

C34H22Cl2N2O2

C34H22Cl2N2O2

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=11.13450Å   b=13.84970Å   c=16.72660Å

α=90°   β=100.3880°   γ=90°

C34H22Cl2N2O2

C34H22Cl2N2O2

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=11.20240Å   b=13.85490Å   c=16.65500Å

α=90°   β=100.5050°   γ=90°