Structures by: Ma Y.

Total: 943

C22H17F4N3O4

C22H17F4N3O4

Meng, XiaoChen, HaoXu, ShuMa, Yuguo

CrystEngComm (2014) 16, 43 9983

a=5.653(4)Å   b=9.661(8)Å   c=18.613(14)Å

α=93.602(15)°   β=91.807(14)°   γ=96.604(14)°

C28H18F2N2OPt

C28H18F2N2OPt

Liu, ShujuanSun, HuibinMa, YunYe, ShanghuiLiu, XiangmeiZhou, XinhuiMou, XinWang, LianhuiZhao, QiangHuang, Wei

Journal of Materials Chemistry (2012) 22, 41 22167

a=16.682(3)Å   b=6.2944(13)Å   c=21.713(4)Å

α=90.00°   β=105.56(3)°   γ=90.00°

C24H18N2OPt

C24H18N2OPt

Liu, ShujuanSun, HuibinMa, YunYe, ShanghuiLiu, XiangmeiZhou, XinhuiMou, XinWang, LianhuiZhao, QiangHuang, Wei

Journal of Materials Chemistry (2012) 22, 41 22167

a=20.828(4)Å   b=6.0006(12)Å   c=15.175(3)Å

α=90.00°   β=99.82(3)°   γ=90.00°

C26H42MoN14NdO6

C26H42MoN14NdO6

Tong, Yu-ZhangWang, Qing-LunSu, Cheng-YunMa, YueRen, ShiXu, Gong-FengYang, Guang-MingCheng, PengLiao, Dai-Zheng

CrystEngComm (2013) 15, 46 9906

a=10.257(2)Å   b=16.936(3)Å   c=11.176(2)Å

α=90.00°   β=98.09(3)°   γ=90.00°

C26H42MoN14O6Pr

C26H42MoN14O6Pr

Tong, Yu-ZhangWang, Qing-LunSu, Cheng-YunMa, YueRen, ShiXu, Gong-FengYang, Guang-MingCheng, PengLiao, Dai-Zheng

CrystEngComm (2013) 15, 46 9906

a=10.280(2)Å   b=16.992(3)Å   c=11.204(2)Å

α=90.00°   β=97.87(3)°   γ=90.00°

C26H42MoN14O6Sm

C26H42MoN14O6Sm

Tong, Yu-ZhangWang, Qing-LunSu, Cheng-YunMa, YueRen, ShiXu, Gong-FengYang, Guang-MingCheng, PengLiao, Dai-Zheng

CrystEngComm (2013) 15, 46 9906

a=16.680(3)Å   b=11.190(2)Å   c=21.330(4)Å

α=90.00°   β=91.58(3)°   γ=90.00°

C26H42GdMoN14O6

C26H42GdMoN14O6

Tong, Yu-ZhangWang, Qing-LunSu, Cheng-YunMa, YueRen, ShiXu, Gong-FengYang, Guang-MingCheng, PengLiao, Dai-Zheng

CrystEngComm (2013) 15, 46 9906

a=16.426(3)Å   b=11.051(2)Å   c=21.097(4)Å

α=90.00°   β=91.17(3)°   γ=90.00°

C26H42EuMoN14O6

C26H42EuMoN14O6

Tong, Yu-ZhangWang, Qing-LunSu, Cheng-YunMa, YueRen, ShiXu, Gong-FengYang, Guang-MingCheng, PengLiao, Dai-Zheng

CrystEngComm (2013) 15, 46 9906

a=16.500(3)Å   b=11.084(2)Å   c=21.108(4)Å

α=90.00°   β=90.85(3)°   γ=90.00°

C26H42HoMoN14O6

C26H42HoMoN14O6

Tong, Yu-ZhangWang, Qing-LunSu, Cheng-YunMa, YueRen, ShiXu, Gong-FengYang, Guang-MingCheng, PengLiao, Dai-Zheng

CrystEngComm (2013) 15, 46 9906

a=16.396(3)Å   b=10.996(2)Å   c=21.194(4)Å

α=90.00°   β=90.86(3)°   γ=90.00°

C26H42ErMoN14O6

C26H42ErMoN14O6

Tong, Yu-ZhangWang, Qing-LunSu, Cheng-YunMa, YueRen, ShiXu, Gong-FengYang, Guang-MingCheng, PengLiao, Dai-Zheng

CrystEngComm (2013) 15, 46 9906

a=16.369(5)Å   b=10.983(3)Å   c=21.234(4)Å

α=90.00°   β=91.124(14)°   γ=90.00°

C26H42MoN14O6Yb

C26H42MoN14O6Yb

Tong, Yu-ZhangWang, Qing-LunSu, Cheng-YunMa, YueRen, ShiXu, Gong-FengYang, Guang-MingCheng, PengLiao, Dai-Zheng

CrystEngComm (2013) 15, 46 9906

a=16.344(3)Å   b=10.960(2)Å   c=21.261(4)Å

α=90.00°   β=91.00(3)°   γ=90.00°

C48H30ClIrN6

C48H30ClIrN6

Xue, FengfengMa, YunshengZhou, ZhiguoQin, LijieLu, YangYang, HongYang, Shiping

Dalton transactions (Cambridge, England : 2003) (2015) 44, 7 2970-2972

a=12.1796(17)Å   b=26.148(4)Å   c=17.534(3)Å

α=90.00°   β=104.082(2)°   γ=90.00°

C57H35IrN6O6

C57H35IrN6O6

Xue, FengfengMa, YunshengZhou, ZhiguoQin, LijieLu, YangYang, HongYang, Shiping

Dalton transactions (Cambridge, England : 2003) (2015) 44, 7 2970-2972

a=12.5702(2)Å   b=25.9873(4)Å   c=17.7066(3)Å

α=90.00°   β=102.355(2)°   γ=90.00°

C14H8Cu2N2O10

C14H8Cu2N2O10

Zhang, Jian-YongLi, Xiu-BingWang, KunMa, YuCheng, Ai-LingGao, En-Qing

Dalton transactions (Cambridge, England : 2003) (2012) 41, 39 12192-12199

a=29.7864(11)Å   b=6.7861(2)Å   c=18.4731(7)Å

α=90.00°   β=122.9070(10)°   γ=90.00°

C38H26CuN6O18

C38H26CuN6O18

Zhang, Jian-YongLi, Xiu-BingWang, KunMa, YuCheng, Ai-LingGao, En-Qing

Dalton transactions (Cambridge, England : 2003) (2012) 41, 39 12192-12199

a=7.7438(15)Å   b=10.058(2)Å   c=13.769(3)Å

α=101.96(3)°   β=105.94(3)°   γ=104.09(3)°

C38H28Cu2N6O20

C38H28Cu2N6O20

Zhang, Jian-YongLi, Xiu-BingWang, KunMa, YuCheng, Ai-LingGao, En-Qing

Dalton transactions (Cambridge, England : 2003) (2012) 41, 39 12192-12199

a=7.788(3)Å   b=9.551(4)Å   c=14.389(5)Å

α=101.446(5)°   β=105.298(5)°   γ=98.651(5)°

C38H26Cu3N6O20

C38H26Cu3N6O20

Zhang, Jian-YongLi, Xiu-BingWang, KunMa, YuCheng, Ai-LingGao, En-Qing

Dalton transactions (Cambridge, England : 2003) (2012) 41, 39 12192-12199

a=13.702(8)Å   b=11.056(6)Å   c=27.727(16)Å

α=90.00°   β=95.026(8)°   γ=90.00°

C28H44Mn3N10O26S2

C28H44Mn3N10O26S2

Ma, YuWang, KunGao, En-QingSong, You

Dalton transactions (Cambridge, England : 2003) (2010) 39, 33 7714-7722

a=9.6556(4)Å   b=10.6835(4)Å   c=12.1750(4)Å

α=87.2590(10)°   β=79.5140(10)°   γ=67.4120(10)°

C14H18Mn2N14O7

C14H18Mn2N14O7

Ma, YuWang, KunGao, En-QingSong, You

Dalton transactions (Cambridge, England : 2003) (2010) 39, 33 7714-7722

a=8.2653(3)Å   b=11.4037(4)Å   c=13.7104(4)Å

α=78.3440(10)°   β=73.3940(10)°   γ=71.7290(10)°

C48H46Cl4Cu4N14O28

C48H46Cl4Cu4N14O28

Ma, YuCheng, Ai-LingTang, BoGao, En-Qing

Dalton transactions (Cambridge, England : 2003) (2014) 43, 37 13957-13964

a=14.6315(16)Å   b=24.776(3)Å   c=33.169(4)Å

α=90.00°   β=90.00°   γ=90.00°

C28H28Cu7N46O4

C28H28Cu7N46O4

Ma, YuCheng, Ai-LingTang, BoGao, En-Qing

Dalton transactions (Cambridge, England : 2003) (2014) 43, 37 13957-13964

a=10.677(2)Å   b=11.349(2)Å   c=13.181(3)Å

α=115.25(3)°   β=96.79(3)°   γ=106.40(3)°

C34H36Cl2F4N2O2Ti

C34H36Cl2F4N2O2Ti

Ma, YuguoLobkovsky, Emil B.Coates, Geoffrey W.

Dalton transactions (Cambridge, England : 2003) (2015) 44, 27 12265-12272

a=10.5330(4)Å   b=19.3123(8)Å   c=16.1038(7)Å

α=90.00°   β=103.3484(8)°   γ=90.00°

C34H30Cl2F10N2O2Ti,C7H7

C34H30Cl2F10N2O2Ti,C7H7

Ma, YuguoLobkovsky, Emil B.Coates, Geoffrey W.

Dalton transactions (Cambridge, England : 2003) (2015) 44, 27 12265-12272

a=26.090(4)Å   b=9.2839(11)Å   c=16.883(2)Å

α=90.00°   β=107.216(5)°   γ=90.00°

C36H38Cl2F6N2O2Ti

C36H38Cl2F6N2O2Ti

Ma, YuguoLobkovsky, Emil B.Coates, Geoffrey W.

Dalton transactions (Cambridge, England : 2003) (2015) 44, 27 12265-12272

a=10.5392(15)Å   b=12.9101(17)Å   c=29.846(4)Å

α=90.00°   β=98.051(4)°   γ=90.00°

C28H28Cu7N46O4

C28H28Cu7N46O4

Ma, YuCheng, Ai-LingTang, BoGao, En-Qing

Dalton transactions (Cambridge, England : 2003) (2014) 43, 37 13957-13964

a=10.677(2)Å   b=11.349(2)Å   c=13.181(3)Å

α=115.25(3)°   β=96.79(3)°   γ=106.40(3)°

C48H46Cl4Cu4N14O28

C48H46Cl4Cu4N14O28

Ma, YuCheng, Ai-LingTang, BoGao, En-Qing

Dalton transactions (Cambridge, England : 2003) (2014) 43, 37 13957-13964

a=14.6315(16)Å   b=24.776(3)Å   c=33.169(4)Å

α=90.00°   β=90.00°   γ=90.00°

C79H47Cu3F54N8O22Yb

C79H47Cu3F54N8O22Yb

Zhu, MeiWang, JuanjuanYang, MengMa, YueLi, Licun

Dalton transactions (Cambridge, England : 2003) (2015) 44, 21 9815-9822

a=16.504(3)Å   b=18.636(4)Å   c=37.360(10)Å

α=90.00°   β=114.11(3)°   γ=90.00°

C81H51Cl4Cu3F54N8O22Tb

C81H51Cl4Cu3F54N8O22Tb

Zhu, MeiWang, JuanjuanYang, MengMa, YueLi, Licun

Dalton transactions (Cambridge, England : 2003) (2015) 44, 21 9815-9822

a=16.778(3)Å   b=19.856(3)Å   c=37.103(5)Å

α=90.00°   β=116.198(6)°   γ=90.00°

C79H47Cu3F54HoN8O22

C79H47Cu3F54HoN8O22

Zhu, MeiWang, JuanjuanYang, MengMa, YueLi, Licun

Dalton transactions (Cambridge, England : 2003) (2015) 44, 21 9815-9822

a=16.6213(4)Å   b=18.7644(8)Å   c=37.4656(9)Å

α=90.00°   β=114.176(2)°   γ=90.00°

Methylenebis(5-amino-1,2,4-triazol-4-ium) dinitrate

C5H10N82,2(NO3)

Li, HongyaYan, BiaoMa, HaixiaMa, XiangrongSun, ZhiyongMa, Yajun

Acta Crystallographica Section C (2020) 76, 10 965-971

a=7.7416(16)Å   b=8.9487(18)Å   c=17.168(3)Å

α=90°   β=90°   γ=90°

Bis(4,5-diamino-1,2,4-triazol-3-yl)methane monohydrate

C5H10N10,H2O

Yan, BiaoLi, HongyaMa, HaixiaMa, XiangrongSun, ZhiyongMa, Yajun

Acta Crystallographica Section C (2020) 76, 9

a=5.4364(10)Å   b=5.6202(11)Å   c=15.844(3)Å

α=83.623(3)°   β=87.617(3)°   γ=86.146(3)°

Bis(5-amino-1,2,4-triazol-4-ium-3-yl)methane dichloride

C5H10N82,2(Cl)

Li, HongyaYan, BiaoMa, HaixiaMa, XiangrongSun, ZhiyongMa, Yajun

Acta Crystallographica Section C (2020) 76, 8

a=18.962(2)Å   b=5.9225(7)Å   c=11.6649(15)Å

α=90°   β=127.0270(10)°   γ=90°

Bis(5-amino-1,2,4-triazol-3-yl)methane

C5H8N8

Li, HongyaYan, BiaoMa, HaixiaSun, ZhiyongMa, YajunZhang, Zhifang

Acta Crystallographica Section C (2020) 76, 1 64-68

a=18.632(3)Å   b=19.933(3)Å   c=4.3095(6)Å

α=90°   β=90°   γ=90°

(<i>S</i>)-2-[1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-4-acetamidoisoindoline-1,3-dione dichloromethane monosolvate

C22H24N2O7S,C1H2Cl2

Wu, Yun-DengZhang, Xiao-LeiLiu, Xiao-HongXu, JianZhang, MeiShen, KunZhang, Si-HanHe, Yong-MeiMa, YanZhang, Ai-Hua

Acta Crystallographica Section C Structural Chemistry (2017) 73, 4

a=13.171(3)Å   b=13.171(3)Å   c=29.524(6)Å

α=90°   β=90°   γ=90°

(<i>S</i>)-2-[1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-4-acetamidoisoindoline-1,3-dione toluene hemisolvate

C22H24N2O7S,0.5(C7H8)

Wu, Yun-DengZhang, Xiao-LeiLiu, Xiao-HongXu, JianZhang, MeiShen, KunZhang, Si-HanHe, Yong-MeiMa, YanZhang, Ai-Hua

Acta Crystallographica Section C Structural Chemistry (2017) 73, 4

a=12.980(3)Å   b=12.980(3)Å   c=29.734(6)Å

α=90°   β=90°   γ=90°

(<i>S</i>)-2-[1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-4-acetamidoisoindoline-1,3-dione ethyl acetate hemisolvate

C22H24N2O7S,0.5(C4H8O2)

Wu, Yun-DengZhang, Xiao-LeiLiu, Xiao-HongXu, JianZhang, MeiShen, KunZhang, Si-HanHe, Yong-MeiMa, YanZhang, Ai-Hua

Acta Crystallographica Section C Structural Chemistry (2017) 73, 4

a=13.0307(18)Å   b=13.0307(18)Å   c=29.754(6)Å

α=90°   β=90°   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=7.82300Å   b=27.63680Å   c=9.81060Å

α=90°   β=112.5420°   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=4.63220Å   b=24.67230Å   c=17.21010Å

α=90°   β=93.0760°   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=4.56940Å   b=15.65760Å   c=27.82230Å

α=90°   β=90.4230°   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=4.65230Å   b=12.32380Å   c=17.69700Å

α=78.4220°   β=88.0490°   γ=88.8470°

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=7.82000Å   b=9.72850Å   c=14.28520Å

α=78.4470°   β=80.4540°   γ=67.4560°

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=6.86720Å   b=9.26110Å   c=16.14650Å

α=85.9000°   β=80.3660°   γ=77.8150°

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=8.04390Å   b=12.08700Å   c=12.15390Å

α=61.2560°   β=88.4070°   γ=75.9430°

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=7.89360Å   b=34.84550Å   c=7.57860Å

α=90°   β=106.0490°   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=4.62400Å   b=29.71420Å   c=14.49510Å

α=90°   β=92.5910°   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=7.25000Å   b=10.20820Å   c=14.66770Å

α=83.6220°   β=76.1990°   γ=73.8000°

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=4.66110Å   b=12.45650Å   c=34.39970Å

α=90°   β=91.1110°   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=17.61590Å   b=4.63220Å   c=25.06180Å

α=90°   β=97.8320°   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=7.20920Å   b=8.21010Å   c=18.66430Å

α=87.4140°   β=84.7600°   γ=65.0430°

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=4.78250Å   b=12.25460Å   c=33.64340Å

α=90°   β=90°   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=8.64470Å   b=10.70670Å   c=11.71540Å

α=87.4790°   β=83.4930°   γ=68.3760°

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=7.48330Å   b=10.48670Å   c=13.67510Å

α=78.0920°   β=83.3590°   γ=70.7920°

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=7.60330Å   b=7.80960Å   c=18.60430Å

α=81.8980°   β=84.2360°   γ=68.3000°

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=12.90230Å   b=10.90870Å   c=16.54040Å

α=90°   β=121.4760°   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=8.63300Å   b=10.72270Å   c=10.98920Å

α=91.8750°   β=99.6550°   γ=90.7700°

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=19.68880Å   b=4.64040Å   c=25.15110Å

α=90°   β=119.7400°   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=6.94410Å   b=8.73160Å   c=17.98040Å

α=89.4770°   β=82.9770°   γ=68.1410°

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=6.98490Å   b=9.14300Å   c=16.00910Å

α=86.3950°   β=83.1640°   γ=78.7810°

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=19.59490Å   b=9.78610Å   c=10.60880Å

α=90°   β=92.5880°   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=14.64800Å   b=9.37790Å   c=17.03990Å

α=90°   β=120.2790°   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=7.71050Å   b=27.84830Å   c=9.94800Å

α=90°   β=112.9390°   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=8.19250Å   b=10.91190Å   c=12.90490Å

α=109.8010°   β=105.3870°   γ=96.7810°

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=4.69770Å   b=15.72660Å   c=26.78730Å

α=90°   β=91.4260°   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=7.88240Å   b=8.02730Å   c=17.86560Å

α=82.9840°   β=81.3480°   γ=65.2580°

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=7.68880Å   b=9.86800Å   c=14.52810Å

α=94.1160°   β=101.8840°   γ=112.6300°

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=4.78140Å   b=12.35100Å   c=17.43630Å

α=77.8780°   β=84.5060°   γ=88.8330°

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=7.80900Å   b=12.25110Å   c=21.57920Å

α=90°   β=98.9600°   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=12.82130Å   b=9.47260Å   c=18.02700Å

α=90°   β=109.8330°   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=7.54070Å   b=7.74420Å   c=19.17300Å

α=83.6990°   β=82.8900°   γ=65.5490°

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=4.95760Å   b=9.75770Å   c=21.29840Å

α=76.8590°   β=85.5940°   γ=82.4380°

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=9.31380Å   b=9.33660Å   c=14.22430Å

α=71.1730°   β=84.7110°   γ=60.8550°

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=8.79570Å   b=9.71710Å   c=12.36080Å

α=91.1570°   β=106.9940°   γ=94.8830°

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=4.70560Å   b=24.62410Å   c=17.12650Å

α=90°   β=95.3260°   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=7.99840Å   b=11.11480Å   c=11.57030Å

α=85.4390°   β=87.1330°   γ=84.0870°

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=12.59440Å   b=13.86400Å   c=11.47470Å

α=90°   β=100.0020°   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=8.87050Å   b=10.73760Å   c=11.85480Å

α=109.3230°   β=91.6880°   γ=107.3200°

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=8.60690Å   b=9.63050Å   c=12.75040Å

α=80.2400°   β=85.5380°   γ=80.3820°

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=7.18020Å   b=8.16680Å   c=18.92620Å

α=87.7660°   β=83.5290°   γ=64.9340°

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=14.87420Å   b=7.78730Å   c=35.96040Å

α=90°   β=91.5090°   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=8.30690Å   b=9.98430Å   c=12.58600Å

α=82.3630°   β=81.0840°   γ=84.7880°

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=25.67620Å   b=13.39570Å   c=13.03960Å

α=90°   β=113.7530°   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=8.02380Å   b=10.40540Å   c=12.11700Å

α=93.8540°   β=95.7410°   γ=98.1360°

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=7.37320Å   b=10.20040Å   c=14.16730Å

α=85.3470°   β=78.1580°   γ=74.8040°

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=7.71150Å   b=11.75500Å   c=22.31880Å

α=90°   β=98.1020°   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=7.79710Å   b=39.45240Å   c=7.24050Å

α=90°   β=112.6630°   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=9.23300Å   b=11.12310Å   c=11.14910Å

α=100.4020°   β=104.6220°   γ=107.5200°

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=8.75060Å   b=11.14440Å   c=11.40530Å

α=66.1860°   β=89.5400°   γ=74.1020°

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=7.28660Å   b=11.71870Å   c=12.86760Å

α=106.5480°   β=104.1750°   γ=94.1710°

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=7.31090Å   b=7.58790Å   c=20.68970Å

α=83.5770°   β=87.6790°   γ=67.2690°

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=9.01390Å   b=18.89550Å   c=12.71570Å

α=90°   β=110.2490°   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=7.72370Å   b=7.80620Å   c=17.85240Å

α=92.5830°   β=95.7050°   γ=111.4130°

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=8.18890Å   b=10.41150Å   c=11.65160Å

α=91.9400°   β=90.8300°   γ=98.0260°

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=13.01400Å   b=12.75340Å   c=12.57870Å

α=90°   β=96.6300°   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=7.87580Å   b=7.89710Å   c=17.91480Å

α=84.2920°   β=83.7670°   γ=65.9260°

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=6.91210Å   b=8.29470Å   c=18.89700Å

α=86.7850°   β=87.8520°   γ=69.8290°

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=9.20230Å   b=9.93780Å   c=13.41810Å

α=107.0700°   β=95.9490°   γ=114.7540°

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=8.11320Å   b=10.07740Å   c=12.97280Å

α=79.6660°   β=74.9410°   γ=85.0920°

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=16.78770Å   b=15.36490Å   c=7.87940Å

α=90°   β=98.0350°   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=9.15910Å   b=10.82070Å   c=11.54730Å

α=97.3540°   β=101.0880°   γ=112.6390°

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=9.25790Å   b=9.94650Å   c=11.77190Å

α=89.5120°   β=89.6770°   γ=71.2150°