Structures published

C₈N₄S₃

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, Saswata Boese, A. Daniel Brandenburg, Jan Gerit Bygrave, Peter J.Bylsma, Rita Campbell, Josh E.Car, Roberto Case, David H.Chadha, Renu Cole, Jason C.Cosburn, Katherine Cuppen, Herma M.Curtis, Farren Day, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexander van Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, Laszlo Gatsiou, Christina-Anna Gee, Thomas S.de Gelder, René Ghiringhelli, Luca M.Goto, Hitoshi Grimme, Stefan Guo, Rui Hofmann, Detlef W. M.Hoja, Johannes Hylton, Rebecca K.Iuzzolino, Luca Jankiewicz, Wojciech de Jong, Daniël T.Kendrick, John de Klerk, Niek J. J.Ko, Hsin-Yu Kuleshova, Liudmila N.Li, Xiayue Lohani, Sanjaya Leusen, Frank J. J.Lund, Albert M.Lv, Jian Ma, Yanming Marom, Noa Masunov, Artëm E.McCabe, Patrick McMahon, David P.Meekes, Hugo Metz, Michael P.Misquitta, Alston J.Mohamed, Sharmarke Monserrat, Bartomeu Needs, Richard J.Neumann, Marcus A.Nyman, Jonas Obata, Shigeaki Oberhofer, Harald Oganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, Rafal Price, Louise S.Price, Sarah L.Pulido, Angeles Read, Murray G.Reuter, Karsten Schneider, Elia Schober, Christoph Shields, Gregory P.Singh, Pawanpreet Sugden, Isaac J.Szalewicz, Krzysztof Taylor, Christopher R.Tkatchenko, Alexandre Tuckerman, Mark E.Vacarro, Francesca Vasileiadis, Manolis Vazquez-Mayagoitia, Alvaro Vogt, Leslie Wang, Yanchao Watson, Rona E.de Wijs, Gilles A.Yang, Jack Zhu, Qiang Groom, Colin R.

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

a=6.19060Å b=7.56310Å c=19.50350Å

α=90° β=95.8960° γ=90°

C₈N₄S₃

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, Saswata Boese, A. Daniel Brandenburg, Jan Gerit Bygrave, Peter J.Bylsma, Rita Campbell, Josh E.Car, Roberto Case, David H.Chadha, Renu Cole, Jason C.Cosburn, Katherine Cuppen, Herma M.Curtis, Farren Day, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexander van Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, Laszlo Gatsiou, Christina-Anna Gee, Thomas S.de Gelder, René Ghiringhelli, Luca M.Goto, Hitoshi Grimme, Stefan Guo, Rui Hofmann, Detlef W. M.Hoja, Johannes Hylton, Rebecca K.Iuzzolino, Luca Jankiewicz, Wojciech de Jong, Daniël T.Kendrick, John de Klerk, Niek J. J.Ko, Hsin-Yu Kuleshova, Liudmila N.Li, Xiayue Lohani, Sanjaya Leusen, Frank J. J.Lund, Albert M.Lv, Jian Ma, Yanming Marom, Noa Masunov, Artëm E.McCabe, Patrick McMahon, David P.Meekes, Hugo Metz, Michael P.Misquitta, Alston J.Mohamed, Sharmarke Monserrat, Bartomeu Needs, Richard J.Neumann, Marcus A.Nyman, Jonas Obata, Shigeaki Oberhofer, Harald Oganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, Rafal Price, Louise S.Price, Sarah L.Pulido, Angeles Read, Murray G.Reuter, Karsten Schneider, Elia Schober, Christoph Shields, Gregory P.Singh, Pawanpreet Sugden, Isaac J.Szalewicz, Krzysztof Taylor, Christopher R.Tkatchenko, Alexandre Tuckerman, Mark E.Vacarro, Francesca Vasileiadis, Manolis Vazquez-Mayagoitia, Alvaro Vogt, Leslie Wang, Yanchao Watson, Rona E.de Wijs, Gilles A.Yang, Jack Zhu, Qiang Groom, Colin R.

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

a=8.19910Å b=7.88150Å c=14.40980Å

α=90° β=99.4640° γ=90°

C₈N₄S₃

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, Saswata Boese, A. Daniel Brandenburg, Jan Gerit Bygrave, Peter J.Bylsma, Rita Campbell, Josh E.Car, Roberto Case, David H.Chadha, Renu Cole, Jason C.Cosburn, Katherine Cuppen, Herma M.Curtis, Farren Day, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexander van Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, Laszlo Gatsiou, Christina-Anna Gee, Thomas S.de Gelder, René Ghiringhelli, Luca M.Goto, Hitoshi Grimme, Stefan Guo, Rui Hofmann, Detlef W. M.Hoja, Johannes Hylton, Rebecca K.Iuzzolino, Luca Jankiewicz, Wojciech de Jong, Daniël T.Kendrick, John de Klerk, Niek J. J.Ko, Hsin-Yu Kuleshova, Liudmila N.Li, Xiayue Lohani, Sanjaya Leusen, Frank J. J.Lund, Albert M.Lv, Jian Ma, Yanming Marom, Noa Masunov, Artëm E.McCabe, Patrick McMahon, David P.Meekes, Hugo Metz, Michael P.Misquitta, Alston J.Mohamed, Sharmarke Monserrat, Bartomeu Needs, Richard J.Neumann, Marcus A.Nyman, Jonas Obata, Shigeaki Oberhofer, Harald Oganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, Rafal Price, Louise S.Price, Sarah L.Pulido, Angeles Read, Murray G.Reuter, Karsten Schneider, Elia Schober, Christoph Shields, Gregory P.Singh, Pawanpreet Sugden, Isaac J.Szalewicz, Krzysztof Taylor, Christopher R.Tkatchenko, Alexandre Tuckerman, Mark E.Vacarro, Francesca Vasileiadis, Manolis Vazquez-Mayagoitia, Alvaro Vogt, Leslie Wang, Yanchao Watson, Rona E.de Wijs, Gilles A.Yang, Jack Zhu, Qiang Groom, Colin R.

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

a=6.69470Å b=7.26020Å c=9.95230Å

α=84.6340° β=81.2480° γ=75.9230°

C₈N₄S₃

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, Saswata Boese, A. Daniel Brandenburg, Jan Gerit Bygrave, Peter J.Bylsma, Rita Campbell, Josh E.Car, Roberto Case, David H.Chadha, Renu Cole, Jason C.Cosburn, Katherine Cuppen, Herma M.Curtis, Farren Day, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexander van Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, Laszlo Gatsiou, Christina-Anna Gee, Thomas S.de Gelder, René Ghiringhelli, Luca M.Goto, Hitoshi Grimme, Stefan Guo, Rui Hofmann, Detlef W. M.Hoja, Johannes Hylton, Rebecca K.Iuzzolino, Luca Jankiewicz, Wojciech de Jong, Daniël T.Kendrick, John de Klerk, Niek J. J.Ko, Hsin-Yu Kuleshova, Liudmila N.Li, Xiayue Lohani, Sanjaya Leusen, Frank J. J.Lund, Albert M.Lv, Jian Ma, Yanming Marom, Noa Masunov, Artëm E.McCabe, Patrick McMahon, David P.Meekes, Hugo Metz, Michael P.Misquitta, Alston J.Mohamed, Sharmarke Monserrat, Bartomeu Needs, Richard J.Neumann, Marcus A.Nyman, Jonas Obata, Shigeaki Oberhofer, Harald Oganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, Rafal Price, Louise S.Price, Sarah L.Pulido, Angeles Read, Murray G.Reuter, Karsten Schneider, Elia Schober, Christoph Shields, Gregory P.Singh, Pawanpreet Sugden, Isaac J.Szalewicz, Krzysztof Taylor, Christopher R.Tkatchenko, Alexandre Tuckerman, Mark E.Vacarro, Francesca Vasileiadis, Manolis Vazquez-Mayagoitia, Alvaro Vogt, Leslie Wang, Yanchao Watson, Rona E.de Wijs, Gilles A.Yang, Jack Zhu, Qiang Groom, Colin R.

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

a=7.86070Å b=14.72010Å c=8.12670Å

α=90° β=91.6550° γ=90°

C₈N₄S₃

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, Saswata Boese, A. Daniel Brandenburg, Jan Gerit Bygrave, Peter J.Bylsma, Rita Campbell, Josh E.Car, Roberto Case, David H.Chadha, Renu Cole, Jason C.Cosburn, Katherine Cuppen, Herma M.Curtis, Farren Day, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexander van Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, Laszlo Gatsiou, Christina-Anna Gee, Thomas S.de Gelder, René Ghiringhelli, Luca M.Goto, Hitoshi Grimme, Stefan Guo, Rui Hofmann, Detlef W. M.Hoja, Johannes Hylton, Rebecca K.Iuzzolino, Luca Jankiewicz, Wojciech de Jong, Daniël T.Kendrick, John de Klerk, Niek J. J.Ko, Hsin-Yu Kuleshova, Liudmila N.Li, Xiayue Lohani, Sanjaya Leusen, Frank J. J.Lund, Albert M.Lv, Jian Ma, Yanming Marom, Noa Masunov, Artëm E.McCabe, Patrick McMahon, David P.Meekes, Hugo Metz, Michael P.Misquitta, Alston J.Mohamed, Sharmarke Monserrat, Bartomeu Needs, Richard J.Neumann, Marcus A.Nyman, Jonas Obata, Shigeaki Oberhofer, Harald Oganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, Rafal Price, Louise S.Price, Sarah L.Pulido, Angeles Read, Murray G.Reuter, Karsten Schneider, Elia Schober, Christoph Shields, Gregory P.Singh, Pawanpreet Sugden, Isaac J.Szalewicz, Krzysztof Taylor, Christopher R.Tkatchenko, Alexandre Tuckerman, Mark E.Vacarro, Francesca Vasileiadis, Manolis Vazquez-Mayagoitia, Alvaro Vogt, Leslie Wang, Yanchao Watson, Rona E.de Wijs, Gilles A.Yang, Jack Zhu, Qiang Groom, Colin R.

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

a=7.39620Å b=6.51910Å c=10.05510Å

α=90° β=91.1310° γ=90°

C₈N₄S₃

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, Saswata Boese, A. Daniel Brandenburg, Jan Gerit Bygrave, Peter J.Bylsma, Rita Campbell, Josh E.Car, Roberto Case, David H.Chadha, Renu Cole, Jason C.Cosburn, Katherine Cuppen, Herma M.Curtis, Farren Day, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexander van Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, Laszlo Gatsiou, Christina-Anna Gee, Thomas S.de Gelder, René Ghiringhelli, Luca M.Goto, Hitoshi Grimme, Stefan Guo, Rui Hofmann, Detlef W. M.Hoja, Johannes Hylton, Rebecca K.Iuzzolino, Luca Jankiewicz, Wojciech de Jong, Daniël T.Kendrick, John de Klerk, Niek J. J.Ko, Hsin-Yu Kuleshova, Liudmila N.Li, Xiayue Lohani, Sanjaya Leusen, Frank J. J.Lund, Albert M.Lv, Jian Ma, Yanming Marom, Noa Masunov, Artëm E.McCabe, Patrick McMahon, David P.Meekes, Hugo Metz, Michael P.Misquitta, Alston J.Mohamed, Sharmarke Monserrat, Bartomeu Needs, Richard J.Neumann, Marcus A.Nyman, Jonas Obata, Shigeaki Oberhofer, Harald Oganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, Rafal Price, Louise S.Price, Sarah L.Pulido, Angeles Read, Murray G.Reuter, Karsten Schneider, Elia Schober, Christoph Shields, Gregory P.Singh, Pawanpreet Sugden, Isaac J.Szalewicz, Krzysztof Taylor, Christopher R.Tkatchenko, Alexandre Tuckerman, Mark E.Vacarro, Francesca Vasileiadis, Manolis Vazquez-Mayagoitia, Alvaro Vogt, Leslie Wang, Yanchao Watson, Rona E.de Wijs, Gilles A.Yang, Jack Zhu, Qiang Groom, Colin R.

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

a=6.82460Å b=7.10350Å c=10.21260Å

α=86.8880° β=76.6540° γ=78.6620°

C₈N₄S₃

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, Saswata Boese, A. Daniel Brandenburg, Jan Gerit Bygrave, Peter J.Bylsma, Rita Campbell, Josh E.Car, Roberto Case, David H.Chadha, Renu Cole, Jason C.Cosburn, Katherine Cuppen, Herma M.Curtis, Farren Day, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexander van Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, Laszlo Gatsiou, Christina-Anna Gee, Thomas S.de Gelder, René Ghiringhelli, Luca M.Goto, Hitoshi Grimme, Stefan Guo, Rui Hofmann, Detlef W. M.Hoja, Johannes Hylton, Rebecca K.Iuzzolino, Luca Jankiewicz, Wojciech de Jong, Daniël T.Kendrick, John de Klerk, Niek J. J.Ko, Hsin-Yu Kuleshova, Liudmila N.Li, Xiayue Lohani, Sanjaya Leusen, Frank J. J.Lund, Albert M.Lv, Jian Ma, Yanming Marom, Noa Masunov, Artëm E.McCabe, Patrick McMahon, David P.Meekes, Hugo Metz, Michael P.Misquitta, Alston J.Mohamed, Sharmarke Monserrat, Bartomeu Needs, Richard J.Neumann, Marcus A.Nyman, Jonas Obata, Shigeaki Oberhofer, Harald Oganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, Rafal Price, Louise S.Price, Sarah L.Pulido, Angeles Read, Murray G.Reuter, Karsten Schneider, Elia Schober, Christoph Shields, Gregory P.Singh, Pawanpreet Sugden, Isaac J.Szalewicz, Krzysztof Taylor, Christopher R.Tkatchenko, Alexandre Tuckerman, Mark E.Vacarro, Francesca Vasileiadis, Manolis Vazquez-Mayagoitia, Alvaro Vogt, Leslie Wang, Yanchao Watson, Rona E.de Wijs, Gilles A.Yang, Jack Zhu, Qiang Groom, Colin R.

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

a=6.84310Å b=11.51040Å c=11.84400Å

α=90° β=93.5550° γ=90°

C₈N₄S₃

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, Saswata Boese, A. Daniel Brandenburg, Jan Gerit Bygrave, Peter J.Bylsma, Rita Campbell, Josh E.Car, Roberto Case, David H.Chadha, Renu Cole, Jason C.Cosburn, Katherine Cuppen, Herma M.Curtis, Farren Day, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexander van Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, Laszlo Gatsiou, Christina-Anna Gee, Thomas S.de Gelder, René Ghiringhelli, Luca M.Goto, Hitoshi Grimme, Stefan Guo, Rui Hofmann, Detlef W. M.Hoja, Johannes Hylton, Rebecca K.Iuzzolino, Luca Jankiewicz, Wojciech de Jong, Daniël T.Kendrick, John de Klerk, Niek J. J.Ko, Hsin-Yu Kuleshova, Liudmila N.Li, Xiayue Lohani, Sanjaya Leusen, Frank J. J.Lund, Albert M.Lv, Jian Ma, Yanming Marom, Noa Masunov, Artëm E.McCabe, Patrick McMahon, David P.Meekes, Hugo Metz, Michael P.Misquitta, Alston J.Mohamed, Sharmarke Monserrat, Bartomeu Needs, Richard J.Neumann, Marcus A.Nyman, Jonas Obata, Shigeaki Oberhofer, Harald Oganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, Rafal Price, Louise S.Price, Sarah L.Pulido, Angeles Read, Murray G.Reuter, Karsten Schneider, Elia Schober, Christoph Shields, Gregory P.Singh, Pawanpreet Sugden, Isaac J.Szalewicz, Krzysztof Taylor, Christopher R.Tkatchenko, Alexandre Tuckerman, Mark E.Vacarro, Francesca Vasileiadis, Manolis Vazquez-Mayagoitia, Alvaro Vogt, Leslie Wang, Yanchao Watson, Rona E.de Wijs, Gilles A.Yang, Jack Zhu, Qiang Groom, Colin R.

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

a=9.32260Å b=24.79180Å c=3.93510Å

α=90° β=90° γ=90°

C₈N₄S₃

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, Saswata Boese, A. Daniel Brandenburg, Jan Gerit Bygrave, Peter J.Bylsma, Rita Campbell, Josh E.Car, Roberto Case, David H.Chadha, Renu Cole, Jason C.Cosburn, Katherine Cuppen, Herma M.Curtis, Farren Day, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexander van Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, Laszlo Gatsiou, Christina-Anna Gee, Thomas S.de Gelder, René Ghiringhelli, Luca M.Goto, Hitoshi Grimme, Stefan Guo, Rui Hofmann, Detlef W. M.Hoja, Johannes Hylton, Rebecca K.Iuzzolino, Luca Jankiewicz, Wojciech de Jong, Daniël T.Kendrick, John de Klerk, Niek J. J.Ko, Hsin-Yu Kuleshova, Liudmila N.Li, Xiayue Lohani, Sanjaya Leusen, Frank J. J.Lund, Albert M.Lv, Jian Ma, Yanming Marom, Noa Masunov, Artëm E.McCabe, Patrick McMahon, David P.Meekes, Hugo Metz, Michael P.Misquitta, Alston J.Mohamed, Sharmarke Monserrat, Bartomeu Needs, Richard J.Neumann, Marcus A.Nyman, Jonas Obata, Shigeaki Oberhofer, Harald Oganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, Rafal Price, Louise S.Price, Sarah L.Pulido, Angeles Read, Murray G.Reuter, Karsten Schneider, Elia Schober, Christoph Shields, Gregory P.Singh, Pawanpreet Sugden, Isaac J.Szalewicz, Krzysztof Taylor, Christopher R.Tkatchenko, Alexandre Tuckerman, Mark E.Vacarro, Francesca Vasileiadis, Manolis Vazquez-Mayagoitia, Alvaro Vogt, Leslie Wang, Yanchao Watson, Rona E.de Wijs, Gilles A.Yang, Jack Zhu, Qiang Groom, Colin R.

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

a=7.08880Å b=6.86800Å c=19.26010Å

α=90° β=92.2090° γ=90°

C₈N₄S₃

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, Saswata Boese, A. Daniel Brandenburg, Jan Gerit Bygrave, Peter J.Bylsma, Rita Campbell, Josh E.Car, Roberto Case, David H.Chadha, Renu Cole, Jason C.Cosburn, Katherine Cuppen, Herma M.Curtis, Farren Day, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexander van Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, Laszlo Gatsiou, Christina-Anna Gee, Thomas S.de Gelder, René Ghiringhelli, Luca M.Goto, Hitoshi Grimme, Stefan Guo, Rui Hofmann, Detlef W. M.Hoja, Johannes Hylton, Rebecca K.Iuzzolino, Luca Jankiewicz, Wojciech de Jong, Daniël T.Kendrick, John de Klerk, Niek J. J.Ko, Hsin-Yu Kuleshova, Liudmila N.Li, Xiayue Lohani, Sanjaya Leusen, Frank J. J.Lund, Albert M.Lv, Jian Ma, Yanming Marom, Noa Masunov, Artëm E.McCabe, Patrick McMahon, David P.Meekes, Hugo Metz, Michael P.Misquitta, Alston J.Mohamed, Sharmarke Monserrat, Bartomeu Needs, Richard J.Neumann, Marcus A.Nyman, Jonas Obata, Shigeaki Oberhofer, Harald Oganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, Rafal Price, Louise S.Price, Sarah L.Pulido, Angeles Read, Murray G.Reuter, Karsten Schneider, Elia Schober, Christoph Shields, Gregory P.Singh, Pawanpreet Sugden, Isaac J.Szalewicz, Krzysztof Taylor, Christopher R.Tkatchenko, Alexandre Tuckerman, Mark E.Vacarro, Francesca Vasileiadis, Manolis Vazquez-Mayagoitia, Alvaro Vogt, Leslie Wang, Yanchao Watson, Rona E.de Wijs, Gilles A.Yang, Jack Zhu, Qiang Groom, Colin R.

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

a=6.75660Å b=7.23020Å c=19.18330Å

α=90° β=90° γ=90°

C₈N₄S₃

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, Saswata Boese, A. Daniel Brandenburg, Jan Gerit Bygrave, Peter J.Bylsma, Rita Campbell, Josh E.Car, Roberto Case, David H.Chadha, Renu Cole, Jason C.Cosburn, Katherine Cuppen, Herma M.Curtis, Farren Day, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexander van Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, Laszlo Gatsiou, Christina-Anna Gee, Thomas S.de Gelder, René Ghiringhelli, Luca M.Goto, Hitoshi Grimme, Stefan Guo, Rui Hofmann, Detlef W. M.Hoja, Johannes Hylton, Rebecca K.Iuzzolino, Luca Jankiewicz, Wojciech de Jong, Daniël T.Kendrick, John de Klerk, Niek J. J.Ko, Hsin-Yu Kuleshova, Liudmila N.Li, Xiayue Lohani, Sanjaya Leusen, Frank J. J.Lund, Albert M.Lv, Jian Ma, Yanming Marom, Noa Masunov, Artëm E.McCabe, Patrick McMahon, David P.Meekes, Hugo Metz, Michael P.Misquitta, Alston J.Mohamed, Sharmarke Monserrat, Bartomeu Needs, Richard J.Neumann, Marcus A.Nyman, Jonas Obata, Shigeaki Oberhofer, Harald Oganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, Rafal Price, Louise S.Price, Sarah L.Pulido, Angeles Read, Murray G.Reuter, Karsten Schneider, Elia Schober, Christoph Shields, Gregory P.Singh, Pawanpreet Sugden, Isaac J.Szalewicz, Krzysztof Taylor, Christopher R.Tkatchenko, Alexandre Tuckerman, Mark E.Vacarro, Francesca Vasileiadis, Manolis Vazquez-Mayagoitia, Alvaro Vogt, Leslie Wang, Yanchao Watson, Rona E.de Wijs, Gilles A.Yang, Jack Zhu, Qiang Groom, Colin R.

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

a=6.72910Å b=11.51680Å c=12.09150Å

α=90° β=90° γ=90°

C₈N₄S₃

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, Saswata Boese, A. Daniel Brandenburg, Jan Gerit Bygrave, Peter J.Bylsma, Rita Campbell, Josh E.Car, Roberto Case, David H.Chadha, Renu Cole, Jason C.Cosburn, Katherine Cuppen, Herma M.Curtis, Farren Day, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexander van Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, Laszlo Gatsiou, Christina-Anna Gee, Thomas S.de Gelder, René Ghiringhelli, Luca M.Goto, Hitoshi Grimme, Stefan Guo, Rui Hofmann, Detlef W. M.Hoja, Johannes Hylton, Rebecca K.Iuzzolino, Luca Jankiewicz, Wojciech de Jong, Daniël T.Kendrick, John de Klerk, Niek J. J.Ko, Hsin-Yu Kuleshova, Liudmila N.Li, Xiayue Lohani, Sanjaya Leusen, Frank J. J.Lund, Albert M.Lv, Jian Ma, Yanming Marom, Noa Masunov, Artëm E.McCabe, Patrick McMahon, David P.Meekes, Hugo Metz, Michael P.Misquitta, Alston J.Mohamed, Sharmarke Monserrat, Bartomeu Needs, Richard J.Neumann, Marcus A.Nyman, Jonas Obata, Shigeaki Oberhofer, Harald Oganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, Rafal Price, Louise S.Price, Sarah L.Pulido, Angeles Read, Murray G.Reuter, Karsten Schneider, Elia Schober, Christoph Shields, Gregory P.Singh, Pawanpreet Sugden, Isaac J.Szalewicz, Krzysztof Taylor, Christopher R.Tkatchenko, Alexandre Tuckerman, Mark E.Vacarro, Francesca Vasileiadis, Manolis Vazquez-Mayagoitia, Alvaro Vogt, Leslie Wang, Yanchao Watson, Rona E.de Wijs, Gilles A.Yang, Jack Zhu, Qiang Groom, Colin R.

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

a=12.01480Å b=6.63290Å c=12.55440Å

α=90° β=109.2500° γ=90°

C₈N₄S₃

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, Saswata Boese, A. Daniel Brandenburg, Jan Gerit Bygrave, Peter J.Bylsma, Rita Campbell, Josh E.Car, Roberto Case, David H.Chadha, Renu Cole, Jason C.Cosburn, Katherine Cuppen, Herma M.Curtis, Farren Day, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexander van Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, Laszlo Gatsiou, Christina-Anna Gee, Thomas S.de Gelder, René Ghiringhelli, Luca M.Goto, Hitoshi Grimme, Stefan Guo, Rui Hofmann, Detlef W. M.Hoja, Johannes Hylton, Rebecca K.Iuzzolino, Luca Jankiewicz, Wojciech de Jong, Daniël T.Kendrick, John de Klerk, Niek J. J.Ko, Hsin-Yu Kuleshova, Liudmila N.Li, Xiayue Lohani, Sanjaya Leusen, Frank J. J.Lund, Albert M.Lv, Jian Ma, Yanming Marom, Noa Masunov, Artëm E.McCabe, Patrick McMahon, David P.Meekes, Hugo Metz, Michael P.Misquitta, Alston J.Mohamed, Sharmarke Monserrat, Bartomeu Needs, Richard J.Neumann, Marcus A.Nyman, Jonas Obata, Shigeaki Oberhofer, Harald Oganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, Rafal Price, Louise S.Price, Sarah L.Pulido, Angeles Read, Murray G.Reuter, Karsten Schneider, Elia Schober, Christoph Shields, Gregory P.Singh, Pawanpreet Sugden, Isaac J.Szalewicz, Krzysztof Taylor, Christopher R.Tkatchenko, Alexandre Tuckerman, Mark E.Vacarro, Francesca Vasileiadis, Manolis Vazquez-Mayagoitia, Alvaro Vogt, Leslie Wang, Yanchao Watson, Rona E.de Wijs, Gilles A.Yang, Jack Zhu, Qiang Groom, Colin R.

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

a=9.56400Å b=10.89950Å c=9.36110Å

α=90° β=94.6830° γ=90°

C₈N₄S₃

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, Saswata Boese, A. Daniel Brandenburg, Jan Gerit Bygrave, Peter J.Bylsma, Rita Campbell, Josh E.Car, Roberto Case, David H.Chadha, Renu Cole, Jason C.Cosburn, Katherine Cuppen, Herma M.Curtis, Farren Day, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexander van Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, Laszlo Gatsiou, Christina-Anna Gee, Thomas S.de Gelder, René Ghiringhelli, Luca M.Goto, Hitoshi Grimme, Stefan Guo, Rui Hofmann, Detlef W. M.Hoja, Johannes Hylton, Rebecca K.Iuzzolino, Luca Jankiewicz, Wojciech de Jong, Daniël T.Kendrick, John de Klerk, Niek J. J.Ko, Hsin-Yu Kuleshova, Liudmila N.Li, Xiayue Lohani, Sanjaya Leusen, Frank J. J.Lund, Albert M.Lv, Jian Ma, Yanming Marom, Noa Masunov, Artëm E.McCabe, Patrick McMahon, David P.Meekes, Hugo Metz, Michael P.Misquitta, Alston J.Mohamed, Sharmarke Monserrat, Bartomeu Needs, Richard J.Neumann, Marcus A.Nyman, Jonas Obata, Shigeaki Oberhofer, Harald Oganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, Rafal Price, Louise S.Price, Sarah L.Pulido, Angeles Read, Murray G.Reuter, Karsten Schneider, Elia Schober, Christoph Shields, Gregory P.Singh, Pawanpreet Sugden, Isaac J.Szalewicz, Krzysztof Taylor, Christopher R.Tkatchenko, Alexandre Tuckerman, Mark E.Vacarro, Francesca Vasileiadis, Manolis Vazquez-Mayagoitia, Alvaro Vogt, Leslie Wang, Yanchao Watson, Rona E.de Wijs, Gilles A.Yang, Jack Zhu, Qiang Groom, Colin R.

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

a=12.01600Å b=6.66840Å c=12.91420Å

α=90° β=116.5570° γ=90°

C₈N₄S₃

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, Saswata Boese, A. Daniel Brandenburg, Jan Gerit Bygrave, Peter J.Bylsma, Rita Campbell, Josh E.Car, Roberto Case, David H.Chadha, Renu Cole, Jason C.Cosburn, Katherine Cuppen, Herma M.Curtis, Farren Day, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexander van Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, Laszlo Gatsiou, Christina-Anna Gee, Thomas S.de Gelder, René Ghiringhelli, Luca M.Goto, Hitoshi Grimme, Stefan Guo, Rui Hofmann, Detlef W. M.Hoja, Johannes Hylton, Rebecca K.Iuzzolino, Luca Jankiewicz, Wojciech de Jong, Daniël T.Kendrick, John de Klerk, Niek J. J.Ko, Hsin-Yu Kuleshova, Liudmila N.Li, Xiayue Lohani, Sanjaya Leusen, Frank J. J.Lund, Albert M.Lv, Jian Ma, Yanming Marom, Noa Masunov, Artëm E.McCabe, Patrick McMahon, David P.Meekes, Hugo Metz, Michael P.Misquitta, Alston J.Mohamed, Sharmarke Monserrat, Bartomeu Needs, Richard J.Neumann, Marcus A.Nyman, Jonas Obata, Shigeaki Oberhofer, Harald Oganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, Rafal Price, Louise S.Price, Sarah L.Pulido, Angeles Read, Murray G.Reuter, Karsten Schneider, Elia Schober, Christoph Shields, Gregory P.Singh, Pawanpreet Sugden, Isaac J.Szalewicz, Krzysztof Taylor, Christopher R.Tkatchenko, Alexandre Tuckerman, Mark E.Vacarro, Francesca Vasileiadis, Manolis Vazquez-Mayagoitia, Alvaro Vogt, Leslie Wang, Yanchao Watson, Rona E.de Wijs, Gilles A.Yang, Jack Zhu, Qiang Groom, Colin R.

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

a=6.85590Å b=6.68600Å c=20.75980Å

α=90° β=93.1650° γ=90°

C₁₀H₁₀B₂

Scholz, Alexander Stefan Massoth, Julian Bursch, Markus Mewes, Jan Hetzke, Thilo Wolf, Bernd Bolte, Michael Lerner, Hans-Wolfram Grimme, Stefan Wagner, Matthias

Journal of the American Chemical Society (2020)

a=7.0969(5)Å b=8.5411(6)Å c=14.8555(11)Å

α=91.182(6)° β=103.436(6)° γ=97.147(6)°

C₂₈H₃₀B₂

Scholz, Alexander Stefan Massoth, Julian Bursch, Markus Mewes, Jan Hetzke, Thilo Wolf, Bernd Bolte, Michael Lerner, Hans-Wolfram Grimme, Stefan Wagner, Matthias

Journal of the American Chemical Society (2020)

a=8.0114(4)Å b=20.4702(10)Å c=14.6659(7)Å

α=90° β=102.299(4)° γ=90°

C₂₈H₂₉B₂N

Scholz, Alexander Stefan Massoth, Julian Bursch, Markus Mewes, Jan Hetzke, Thilo Wolf, Bernd Bolte, Michael Lerner, Hans-Wolfram Grimme, Stefan Wagner, Matthias

Journal of the American Chemical Society (2020)

a=8.8118(8)Å b=24.1649(18)Å c=11.8030(12)Å

α=90° β=108.540(8)° γ=90°

C₂₉H₃₁B₂N

Scholz, Alexander Stefan Massoth, Julian Bursch, Markus Mewes, Jan Hetzke, Thilo Wolf, Bernd Bolte, Michael Lerner, Hans-Wolfram Grimme, Stefan Wagner, Matthias

Journal of the American Chemical Society (2020)

a=7.6310(4)Å b=17.0502(9)Å c=19.5937(8)Å

α=90° β=90° γ=90°

C₁₉H₁₅Br₂N

Scholz, Alexander Stefan Massoth, Julian Bursch, Markus Mewes, Jan Hetzke, Thilo Wolf, Bernd Bolte, Michael Lerner, Hans-Wolfram Grimme, Stefan Wagner, Matthias

Journal of the American Chemical Society (2020)

a=7.4924(9)Å b=9.6174(12)Å c=11.9767(16)Å

α=95.305(11)° β=101.490(10)° γ=103.923(10)°

C₂₈H₂₈B₂O

Scholz, Alexander Stefan Massoth, Julian Bursch, Markus Mewes, Jan Hetzke, Thilo Wolf, Bernd Bolte, Michael Lerner, Hans-Wolfram Grimme, Stefan Wagner, Matthias

Journal of the American Chemical Society (2020)

a=8.7888(5)Å b=24.0199(12)Å c=11.8661(7)Å

α=90° β=108.501(5)° γ=90°

C₂₉H₂₁B₂Br₂N

Scholz, Alexander Stefan Massoth, Julian Bursch, Markus Mewes, Jan Hetzke, Thilo Wolf, Bernd Bolte, Michael Lerner, Hans-Wolfram Grimme, Stefan Wagner, Matthias

Journal of the American Chemical Society (2020)

a=11.4624(6)Å b=33.3828(16)Å c=7.3003(4)Å

α=90° β=118.642(4)° γ=90°

C₂₉H₁₉B₂N

Scholz, Alexander Stefan Massoth, Julian Bursch, Markus Mewes, Jan Hetzke, Thilo Wolf, Bernd Bolte, Michael Lerner, Hans-Wolfram Grimme, Stefan Wagner, Matthias

Journal of the American Chemical Society (2020)

a=13.7589(7)Å b=14.0096(9)Å c=20.7132(10)Å

α=90° β=90° γ=90°

C₃₂H₈BF₁₅O_2,CH₂Cl₂

Longobardi, Lauren E.Liu, Lei Grimme, Stefan Stephan, Douglas W.

Journal of the American Chemical Society (2016) 138, 8 2500-2503

a=10.9016(11)Å b=11.8469(11)Å c=11.8554(12)Å

α=84.408(5)° β=80.506(5)° γ=88.459(5)°

C₂₈H₈BF₁₀O_2,C₁₀H₁₀Co

Longobardi, Lauren E.Liu, Lei Grimme, Stefan Stephan, Douglas W.

Journal of the American Chemical Society (2016) 138, 8 2500-2503

a=25.3133(18)Å b=15.9662(18)Å c=16.4000(13)Å

α=90° β=117.857(7)° γ=90°

0.5(CH₂Cl₂)_,C₂₈H₈BF₁₀O₂

Longobardi, Lauren E.Liu, Lei Grimme, Stefan Stephan, Douglas W.

Journal of the American Chemical Society (2016) 138, 8 2500-2503

a=17.3619(10)Å b=20.3198(13)Å c=13.4759(8)Å

α=90° β=90° γ=90°

C₂₀H₈BF₅O₂

Longobardi, Lauren E.Liu, Lei Grimme, Stefan Stephan, Douglas W.

Journal of the American Chemical Society (2016) 138, 8 2500-2503

a=7.047(2)Å b=14.854(5)Å c=15.221(6)Å

α=90° β=97.455(10)° γ=90°

C₂₀H₃₀Co_,C₂₆H₈BF₁₀O₂

Longobardi, Lauren E.Liu, Lei Grimme, Stefan Stephan, Douglas W.

Journal of the American Chemical Society (2016) 138, 8 2500-2503

a=11.0423(8)Å b=16.9039(13)Å c=21.2807(14)Å

α=90° β=97.057(3)° γ=90°

C₂₆H₈BF₁₀O₂

Longobardi, Lauren E.Liu, Lei Grimme, Stefan Stephan, Douglas W.

Journal of the American Chemical Society (2016) 138, 8 2500-2503

a=13.1089(10)Å b=23.2919(19)Å c=14.0746(9)Å

α=90° β=99.583(4)° γ=90°

C₁₂₃H₁₁₆N₄O_7.5

Schaub, Tobias A.Prantl, Ephraim A.Kohn, Julia Bursch, Markus Marshall, Checkers R.Leonhardt, Erik James Lovell, Terri C.Zakharov, Lev N.Brozek, Carl K.Waldvogel, Siegfried R.Grimme, Stefan Jasti, Ramesh

Journal of the American Chemical Society (2020)

a=38.384(3)Å b=15.8148(13)Å c=32.575(3)Å

α=90° β=93.970(5)° γ=90°

C₁₂₄H₈₂Cl₆

Schaub, Tobias A.Prantl, Ephraim A.Kohn, Julia Bursch, Markus Marshall, Checkers R.Leonhardt, Erik James Lovell, Terri C.Zakharov, Lev N.Brozek, Carl K.Waldvogel, Siegfried R.Grimme, Stefan Jasti, Ramesh

Journal of the American Chemical Society (2020)

a=18.0821(11)Å b=24.2024(15)Å c=24.6475(14)Å

α=90° β=110.073(4)° γ=90°

C_101.83H_64.83Cl_14.48

Schaub, Tobias A.Prantl, Ephraim A.Kohn, Julia Bursch, Markus Marshall, Checkers R.Leonhardt, Erik James Lovell, Terri C.Zakharov, Lev N.Brozek, Carl K.Waldvogel, Siegfried R.Grimme, Stefan Jasti, Ramesh

Journal of the American Chemical Society (2020)

a=20.9020(8)Å b=20.9356(8)Å c=22.3508(8)Å

α=71.185(2)° β=88.023(2)° γ=83.811(2)°

CCl₉Si_3,C₁₆H₃₆N

Georg, Isabelle Teichmann, Julian Bursch, Markus Tillmann, Jan Endeward, Burkhard Bolte, Michael Lerner, Hans-Wolfram Grimme, Stefan Wagner, Matthias

Journal of the American Chemical Society (2018) 140, 30 9696-9708

a=18.5044(8)Å b=18.5044(8)Å c=18.5044(8)Å

α=90° β=90° γ=90°

C₂Cl₁₂Si₄

Georg, Isabelle Teichmann, Julian Bursch, Markus Tillmann, Jan Endeward, Burkhard Bolte, Michael Lerner, Hans-Wolfram Grimme, Stefan Wagner, Matthias

Journal of the American Chemical Society (2018) 140, 30 9696-9708

a=16.5007(11)Å b=12.1710(7)Å c=18.2951(12)Å

α=90° β=90° γ=90°

C₈H₈Cl₆Si₂

Georg, Isabelle Teichmann, Julian Bursch, Markus Tillmann, Jan Endeward, Burkhard Bolte, Michael Lerner, Hans-Wolfram Grimme, Stefan Wagner, Matthias

Journal of the American Chemical Society (2018) 140, 30 9696-9708

a=9.1268(8)Å b=9.5234(9)Å c=10.1718(9)Å

α=77.516(7)° β=87.755(7)° γ=62.147(7)°

C₃₀H₂₀Cl₆Si₂

Georg, Isabelle Teichmann, Julian Bursch, Markus Tillmann, Jan Endeward, Burkhard Bolte, Michael Lerner, Hans-Wolfram Grimme, Stefan Wagner, Matthias

Journal of the American Chemical Society (2018) 140, 30 9696-9708

a=11.5499(6)Å b=12.4908(7)Å c=12.5898(7)Å

α=65.826(4)° β=79.473(4)° γ=65.638(4)°

2(C₁₆H₃₆N)_,C₂Cl₁₂Si₄

Georg, Isabelle Teichmann, Julian Bursch, Markus Tillmann, Jan Endeward, Burkhard Bolte, Michael Lerner, Hans-Wolfram Grimme, Stefan Wagner, Matthias

Journal of the American Chemical Society (2018) 140, 30 9696-9708

a=11.4327(6)Å b=11.8063(6)Å c=19.5139(9)Å

α=85.921(4)° β=85.777(4)° γ=88.686(4)°

C₁₅H₂₀O₃

Masnyk, Marek Butkiewicz, Aleksandra Górecki, Marcin Luboradzki, Roman Bannwarth, Christoph Grimme, Stefan Frelek, Jadwiga

The Journal of organic chemistry (2016) 81, 11 4588-4600

a=8.4882(2)Å b=10.2664(2)Å c=15.0606(2)Å

α=90.00° β=90.00° γ=90.00°

C₁₅H₂₀O₃

Masnyk, Marek Butkiewicz, Aleksandra Górecki, Marcin Luboradzki, Roman Bannwarth, Christoph Grimme, Stefan Frelek, Jadwiga

The Journal of organic chemistry (2016) 81, 11 4588-4600

a=8.5748(3)Å b=10.7930(5)Å c=28.4380(10)Å

α=90.00° β=90.00° γ=90.00°

C₁₅H₂₀O₃

Masnyk, Marek Butkiewicz, Aleksandra Górecki, Marcin Luboradzki, Roman Bannwarth, Christoph Grimme, Stefan Frelek, Jadwiga

The Journal of organic chemistry (2016) 81, 11 4588-4600

a=6.0837(2)Å b=14.3011(4)Å c=30.2301(12)Å

α=90.00° β=90.00° γ=90.00°

C₂₂H₃₄O₅

Masnyk, Marek Butkiewicz, Aleksandra Górecki, Marcin Luboradzki, Roman Bannwarth, Christoph Grimme, Stefan Frelek, Jadwiga

The Journal of organic chemistry (2016) 81, 11 4588-4600

a=5.8785(2)Å b=14.9793(4)Å c=24.3269(8)Å

α=90.00° β=90.00° γ=90.00°

(C H3)3 Ga (N2 H3 (C H3))

C₄H₁₅GaN₂

Uhl, W.Abel, T.Hepp, A.Grimme, S.Steinmetz, M.

European Journal of Inorganic Chemistry (2008) 2008, 543-551

a=7.9589Å b=7.2657Å c=14.342Å

α=90° β=98.92° γ=90°

((C H3)2 In)4 (N2 H2 (C H3))2 (N2 H (C H3))

C₁₁H₃₈In₄N₆

Uhl, W.Abel, T.Grimme, S.Hepp, A.Steinmetz, M.

European Journal of Inorganic Chemistry (2008) 2008, 543-551

a=10.1564Å b=20.4768Å c=11.3773Å

α=90° β=91.919° γ=90°

((C H3)2 Ga)4 (N2 H2 (C H3))2 (N2 H (C H3))

C₁₁H₃₈Ga₄N₆

Uhl, W.Abel, T.Steinmetz, M.Hepp, A.Grimme, S.

European Journal of Inorganic Chemistry (2008) 2008, 543-551

a=13.095Å b=14.707Å c=12.523Å

α=90° β=111.39° γ=90°

((C H3)2 Al)3 (N2 H2 (C H3))6 Al

C₁₂H₄₈Al₄N₁₂

Uhl, W.Abel, T.Steinmetz, M.Hepp, A.Grimme, S.

European Journal of Inorganic Chemistry (2008) 2008, 543-551

a=13.753Å b=11.931Å c=16.516Å

α=90° β=98.078° γ=90°

(7R,8S)-8-((R)-1-((tert-butyldimethylsilyl)oxy)ethyl) -1-azabicyclo[5.2.0]nonane-9-thione

C₁₆H₃₁NOSSi

Magdalena Woźnica Aleksandra Butkiewicz Aneta Grzywacz Patrycja Kowalska Marek Masnyk Karol Michalak Roman Luboradzki Filipp Furche Holger Kruse Stefan Grimme Jadwiga Frelek

Journal of Organic Chemistry (2011) 76, 3306-3319

a=7.2558(2)Å b=11.0858(4)Å c=12.0016(4)Å

α=90.00° β=100.819(2)° γ=90.00°

C₃₀H₂₂Br₂O₄

Meyer-Eppler, Georg Sure, Rebecca Schneider, Andreas Schnakenburg, Gregor Grimme, Stefan Lützen, Arne

The Journal of organic chemistry (2014) 79, 14 6679-6687

a=6.8010(2)Å b=16.1651(5)Å c=22.3501(8)Å

α=90.00° β=90.00° γ=90.00°

C₁₆H₁₄I₂

Meyer-Eppler, Georg Sure, Rebecca Schneider, Andreas Schnakenburg, Gregor Grimme, Stefan Lützen, Arne

The Journal of organic chemistry (2014) 79, 14 6679-6687

a=11.6253(2)Å b=11.6253(2)Å c=9.0313(2)Å

α=90.00° β=90.00° γ=120.00°

C₃₀H₂₆Br₂N₄

Meyer-Eppler, Georg Sure, Rebecca Schneider, Andreas Schnakenburg, Gregor Grimme, Stefan Lützen, Arne

The Journal of organic chemistry (2014) 79, 14 6679-6687

a=33.742(2)Å b=7.9547(3)Å c=9.8768(7)Å

α=90.00° β=97.566(2)° γ=90.00°

C₃₆H₅₀O₄

Mori, Tadashi Grimme, Stefan Inoue, Yoshihisa

The Journal of organic chemistry (2007) 72, 18 6998-7010

a=12.4543(4)Å b=12.4735(5)Å c=12.4773(4)Å

α=66.229(1)° β=66.251(2)° γ=85.637(1)°

C₅₁H₇₂O₆

Mori, Tadashi Grimme, Stefan Inoue, Yoshihisa

The Journal of organic chemistry (2007) 72, 18 6998-7010

a=11.9777(3)Å b=19.4202(4)Å c=19.8808(6)Å

α=90° β=92.9960(7)° γ=90°

C₂₃H₃₃NO₂Si

Thérèse Hémery Robert Huenerbein Roland Fröhlich Stefan Grimme Dieter Hoppe

Journal of Organic Chemistry (2010) 75, 5716-5720

a=8.2332(3)Å b=11.5989(4)Å c=23.8708(9)Å

α=90.00° β=90.00° γ=90.00°

C₃₂H₁₂BF₂₀P

Rosorius, Christoph Kehr, Gerald Fröhlich, Roland Grimme, Stefan Erker, Gerhard

Organometallics (2011) 30, 15 4211

a=11.1848(4)Å b=15.8115(6)Å c=18.1557(10)Å

α=90.00° β=103.037(3)° γ=90.00°

C₃₄H₁₀BF₂₀OP

Rosorius, Christoph Kehr, Gerald Fröhlich, Roland Grimme, Stefan Erker, Gerhard

Organometallics (2011) 30, 15 4211

a=10.6020(3)Å b=17.5414(6)Å c=18.9734(6)Å

α=90.00° β=90.290(2)° γ=90.00°

C₃₈H₁₆BCl₄F₂₀OP

Rosorius, Christoph Kehr, Gerald Fröhlich, Roland Grimme, Stefan Erker, Gerhard

Organometallics (2011) 30, 15 4211

a=10.9273(4)Å b=11.9928(4)Å c=16.7507(8)Å

α=70.979(5)° β=89.996(4)° γ=73.451(5)°

C_35.5H₁₁BClF₂₀P

Rosorius, Christoph Kehr, Gerald Fröhlich, Roland Grimme, Stefan Erker, Gerhard

Organometallics (2011) 30, 15 4211

a=33.3804(8)Å b=40.8995(9)Å c=9.9755(4)Å

α=90.00° β=90.00° γ=90.00°

C₄₀H₃₉Cl₂NOP₂S₂

Achim Bruch Roland Fröhlich Stefan Grimme Armido Studer Dennis P. Curran

Journal of the American Chemical Society (2011) 133, 16270-16276

a=16.6758(6)Å b=14.9777(4)Å c=15.2925(4)Å

α=90.00° β=98.774(2)° γ=90.00°

C₁₅H₁₇I₂NO

Achim Bruch Roland Fröhlich Stefan Grimme Armido Studer Dennis P. Curran

Journal of the American Chemical Society (2011) 133, 16270-16276

a=11.0072(4)Å b=17.2751(5)Å c=17.6048(6)Å

α=90.00° β=90.00° γ=90.00°

C₁₅H₁₈INO

Achim Bruch Roland Fröhlich Stefan Grimme Armido Studer Dennis P. Curran

Journal of the American Chemical Society (2011) 133, 16270-16276

a=8.7052(2)Å b=9.0837(2)Å c=9.9412(3)Å

α=114.065(2)° β=93.810(2)° γ=97.318(1)°

C₂₄H₁₆BF₁₀N

Bao-Hua Xu Gerald Kehr Roland Fröhlich Stefan Grimme Gerhard Erker

Journal of the American Chemical Society (2011) 133, 3480-3491

a=8.4497(1)Å b=9.7617(1)Å c=14.2402(2)Å

α=71.184(1)° β=84.869(1)° γ=88.108(1)°

C₂₄H₁₈BF₁₀N

Bao-Hua Xu Gerald Kehr Roland Fröhlich Stefan Grimme Gerhard Erker

Journal of the American Chemical Society (2011) 133, 3480-3491

a=19.5277(8)Å b=6.5056(3)Å c=18.7809(6)Å

α=90.00° β=112.021(2)° γ=90.00°

C₂₃H₁₆BF₁₀N

Bao-Hua Xu Gerald Kehr Roland Fröhlich Stefan Grimme Gerhard Erker

Journal of the American Chemical Society (2011) 133, 3480-3491

a=19.0148(12)Å b=6.3803(4)Å c=18.4629(10)Å

α=90.00° β=109.883(4)° γ=90.00°

C₂₄H₁₆BCl₂F₁₀N

Bao-Hua Xu Gerald Kehr Roland Fröhlich Stefan Grimme Gerhard Erker

Journal of the American Chemical Society (2011) 133, 3480-3491

a=7.9357(4)Å b=11.1685(6)Å c=14.6427(9)Å

α=94.818(2)° β=91.780(3)° γ=103.119(4)°

C₃₅H₃₂BF₁₀NO₂

Bao-Hua Xu Gerald Kehr Roland Fröhlich Stefan Grimme Gerhard Erker

Journal of the American Chemical Society (2011) 133, 3480-3491

a=20.4261(7)Å b=10.3146(3)Å c=31.7887(11)Å

α=90.00° β=103.898(2)° γ=90.00°

C_46.5H₄₉BF₁₀NP

Bao-Hua Xu Gerald Kehr Roland Fröhlich Stefan Grimme Gerhard Erker

Journal of the American Chemical Society (2011) 133, 3480-3491

a=10.6333(3)Å b=11.1091(5)Å c=19.3290(11)Å

α=101.818(6)° β=98.509(2)° γ=98.229(3)°

C_34.5H₃₂BF₁₀N

Bao-Hua Xu Gerald Kehr Roland Fröhlich Stefan Grimme Gerhard Erker

Journal of the American Chemical Society (2011) 133, 3480-3491

a=16.5180(8)Å b=15.2872(6)Å c=25.8720(11)Å

α=90.00° β=103.496(4)° γ=90.00°

C_24.5H₂₀BCl₂F₁₀N

Bao-Hua Xu Gerald Kehr Roland Fröhlich Stefan Grimme Gerhard Erker

Journal of the American Chemical Society (2011) 133, 3480-3491

a=9.4976(5)Å b=12.4411(8)Å c=12.8064(8)Å

α=88.834(4)° β=78.248(3)° γ=74.602(5)°

C₁₅H₃₀Al₂

Werner Uhl Andrej Vinogradov Stefan Grimme

Journal of the American Chemical Society (2007) 129, 11259-11264

a=8.3953(12)Å b=9.4464(14)Å c=12.6950(18)Å

α=91.388(3)° β=102.358(3)° γ=114.027(2)°

C₁₈H₄₂Al₄

Werner Uhl Andrej Vinogradov Stefan Grimme

Journal of the American Chemical Society (2007) 129, 11259-11264

a=9.3371(10)Å b=11.4499(12)Å c=11.7615(12)Å

α=78.416(2)° β=85.403(2)° γ=89.980(2)°

C₄₅H₅₇BF₁₀Si₂Zr

Juri Ugolotti Gerald Kehr Roland Fröhlich Stefan Grimme Gerhard Erker

Journal of the American Chemical Society (2009) 131, 1996-2007

a=12.0655(1)Å b=14.5258(2)Å c=15.7909(3)Å

α=111.166(1)° β=94.238(1)° γ=111.542(1)°

C₃₄H₃₃BF₁₀Si₂Zr

Juri Ugolotti Gerald Kehr Roland Fröhlich Stefan Grimme Gerhard Erker

Journal of the American Chemical Society (2009) 131, 1996-2007

a=10.0841(3)Å b=15.8190(5)Å c=11.5732(4)Å

α=90.00° β=104.946(1)° γ=90.00°

C₄₈H₄₅BF₁₀P

Cornelia M. Mömming Silke Frömel Gerald Kehr Roland Fröhlich Stefan Grimme Gerhard Erker

Journal of the American Chemical Society (2009) 131, 12280-12289

a=12.1477(5)Å b=12.2155(5)Å c=15.1806(6)Å

α=74.541(2)° β=72.625(2)° γ=82.110(2)°

C₃₆H₃₄BF₁₀OP

Cornelia M. Mömming Silke Frömel Gerald Kehr Roland Fröhlich Stefan Grimme Gerhard Erker

Journal of the American Chemical Society (2009) 131, 12280-12289

a=33.6177(10)Å b=12.8660(4)Å c=16.5773(5)Å

α=90.00° β=111.635(2)° γ=90.00°

C₄₁H₃₄BF₁₀OP

Cornelia M. Mömming Silke Frömel Gerald Kehr Roland Fröhlich Stefan Grimme Gerhard Erker

Journal of the American Chemical Society (2009) 131, 12280-12289

a=9.4496(3)Å b=30.8893(11)Å c=12.4289(4)Å

α=90.00° β=98.642(2)° γ=90.00°

C₈₂H₈₃N₂P₃PbPd

Dennis Heitmann Tania Pape Alexander Hepp Christian Mück-Lichtenfeld Stefan Grimme F. Ekkehardt Hahn

Journal of the American Chemical Society (2011) 133, 11118-11120

a=13.4081(5)Å b=13.6329(6)Å c=19.9252(8)Å

α=79.2470(10)° β=81.7380(10)° γ=84.0190(10)°

C₈₂H₈₃N₂P₃PbPt

Dennis Heitmann Tania Pape Alexander Hepp Christian Mück-Lichtenfeld Stefan Grimme F. Ekkehardt Hahn

Journal of the American Chemical Society (2011) 133, 11118-11120

a=13.4074(6)Å b=13.6036(6)Å c=19.8815(8)Å

α=79.1860(10)° β=81.7770(10)° γ=83.8680(10)°

C₄₂H₅₀B₁₂Cl₁₆Fe₂Si₂

Kristine Müther Roland Fröhlich Christian Mück-Lichtenfeld Stefan Grimme Martin Oestreich

Journal of the American Chemical Society (2011) 133, 12442-12444

a=13.5158(3)Å b=17.0228(3)Å c=26.8741(5)Å

α=90.00° β=95.909(1)° γ=90.00°

C₂₇H₂₁BF₁₅N

Tayseer Mahdi Zachariah M. Heiden Stefan Grimme Douglas W. Stephan

Journal of the American Chemical Society (2012) 134, 4088-4091

a=9.7241(8)Å b=14.7348(12)Å c=18.8022(15)Å

α=90.00° β=98.826(4)° γ=90.00°

C₃₀H₂₅BF₁₅N

Tayseer Mahdi Zachariah M. Heiden Stefan Grimme Douglas W. Stephan

Journal of the American Chemical Society (2012) 134, 4088-4091

a=12.6342(6)Å b=18.1939(8)Å c=12.8612(6)Å

α=90.00° β=90.269(2)° γ=90.00°

C₃₃H₂₈BF₁₀NOP

Muhammad Sajid Annika Stute Allan Jay P. Cardenas Brooks J. Culotta Johannes A. M. Hepperle Timothy H. Warren Birgitta Schirmer Stefan Grimme Armido Studer Constantin G. Daniliuc Roland Fröhlich Jeffrey L. Petersen Gerald Kehr Gerhard Erker

Journal of the American Chemical Society (2012) 134, 10156-10168

a=7.9245(5)Å b=10.6961(5)Å c=18.9336(19)Å

α=79.222(4)° β=79.203(7)° γ=88.914(3)°

C₃₅H₃₄BF₁₀NOPSi

Muhammad Sajid Annika Stute Allan Jay P. Cardenas Brooks J. Culotta Johannes A. M. Hepperle Timothy H. Warren Birgitta Schirmer Stefan Grimme Armido Studer Constantin G. Daniliuc Roland Fröhlich Jeffrey L. Petersen Gerald Kehr Gerhard Erker

Journal of the American Chemical Society (2012) 134, 10156-10168

a=10.5468(3)Å b=10.6122(3)Å c=17.4537(7)Å

α=86.333(1)° β=85.007(1)° γ=63.541(2)°

C₄₁H₄₅BF₁₀NOP

Muhammad Sajid Annika Stute Allan Jay P. Cardenas Brooks J. Culotta Johannes A. M. Hepperle Timothy H. Warren Birgitta Schirmer Stefan Grimme Armido Studer Constantin G. Daniliuc Roland Fröhlich Jeffrey L. Petersen Gerald Kehr Gerhard Erker

Journal of the American Chemical Society (2012) 134, 10156-10168

a=17.4646(2)Å b=10.6452(1)Å c=20.7316(2)Å

α=90.00° β=91.147(1)° γ=90.00°

C₃₈H₃₁BF₁₀NOP

Muhammad Sajid Annika Stute Allan Jay P. Cardenas Brooks J. Culotta Johannes A. M. Hepperle Timothy H. Warren Birgitta Schirmer Stefan Grimme Armido Studer Constantin G. Daniliuc Roland Fröhlich Jeffrey L. Petersen Gerald Kehr Gerhard Erker

Journal of the American Chemical Society (2012) 134, 10156-10168

a=10.8277(2)Å b=11.4950(3)Å c=14.8377(3)Å

α=87.5460(10)° β=73.8360(10)° γ=82.013(2)°

C₃₉H₃₃BF₁₀NOP

Muhammad Sajid Annika Stute Allan Jay P. Cardenas Brooks J. Culotta Johannes A. M. Hepperle Timothy H. Warren Birgitta Schirmer Stefan Grimme Armido Studer Constantin G. Daniliuc Roland Fröhlich Jeffrey L. Petersen Gerald Kehr Gerhard Erker

Journal of the American Chemical Society (2012) 134, 10156-10168

a=10.9350(12)Å b=12.8316(16)Å c=16.1354(10)Å

α=68.007(4)° β=89.889(5)° γ=73.784(11)°

C₃₅H₃₅BF₁₀NOPSi

Muhammad Sajid Annika Stute Allan Jay P. Cardenas Brooks J. Culotta Johannes A. M. Hepperle Timothy H. Warren Birgitta Schirmer Stefan Grimme Armido Studer Constantin G. Daniliuc Roland Fröhlich Jeffrey L. Petersen Gerald Kehr Gerhard Erker

Journal of the American Chemical Society (2012) 134, 10156-10168

a=9.4443(2)Å b=10.7197(2)Å c=19.2926(5)Å

α=82.938(1)° β=86.248(1)° γ=82.508(1)°

C₄₃H₃₉BF₁₀NOP

Muhammad Sajid Annika Stute Allan Jay P. Cardenas Brooks J. Culotta Johannes A. M. Hepperle Timothy H. Warren Birgitta Schirmer Stefan Grimme Armido Studer Constantin G. Daniliuc Roland Fröhlich Jeffrey L. Petersen Gerald Kehr Gerhard Erker

Journal of the American Chemical Society (2012) 134, 10156-10168

a=9.5024(1)Å b=19.8280(3)Å c=21.6374(2)Å

α=74.247(1)° β=81.653(1)° γ=78.048(1)°

C₄₀H₃₅BF₁₀NOP

Muhammad Sajid Annika Stute Allan Jay P. Cardenas Brooks J. Culotta Johannes A. M. Hepperle Timothy H. Warren Birgitta Schirmer Stefan Grimme Armido Studer Constantin G. Daniliuc Roland Fröhlich Jeffrey L. Petersen Gerald Kehr Gerhard Erker

Journal of the American Chemical Society (2012) 134, 10156-10168

a=10.8645(7)Å b=12.6096(4)Å c=14.7239(7)Å

α=79.426(2)° β=69.495(4)° γ=75.950(4)°

C₄₉H₄₉BF₁₀NOP

Muhammad Sajid Annika Stute Allan Jay P. Cardenas Brooks J. Culotta Johannes A. M. Hepperle Timothy H. Warren Birgitta Schirmer Stefan Grimme Armido Studer Constantin G. Daniliuc Roland Fröhlich Jeffrey L. Petersen Gerald Kehr Gerhard Erker

Journal of the American Chemical Society (2012) 134, 10156-10168

a=11.0700(1)Å b=21.3258(3)Å c=18.9405(3)Å

α=90.00° β=105.085(1)° γ=90.00°

C₄₂H₄₁BF₁₀NOP

Muhammad Sajid Annika Stute Allan Jay P. Cardenas Brooks J. Culotta Johannes A. M. Hepperle Timothy H. Warren Birgitta Schirmer Stefan Grimme Armido Studer Constantin G. Daniliuc Roland Fröhlich Jeffrey L. Petersen Gerald Kehr Gerhard Erker

Journal of the American Chemical Society (2012) 134, 10156-10168

a=11.8794(2)Å b=16.4445(2)Å c=19.7784(3)Å

α=97.514(1)° β=94.091(1)° γ=92.643(1)°

C₄₄H₄₁BF₁₀NOP

Muhammad Sajid Annika Stute Allan Jay P. Cardenas Brooks J. Culotta Johannes A. M. Hepperle Timothy H. Warren Birgitta Schirmer Stefan Grimme Armido Studer Constantin G. Daniliuc Roland Fröhlich Jeffrey L. Petersen Gerald Kehr Gerhard Erker

Journal of the American Chemical Society (2012) 134, 10156-10168

a=19.6305(5)Å b=11.3087(4)Å c=18.2740(5)Å

α=90.00° β=105.963(2)° γ=90.00°

C_38.5H₃₈BF₁₀NOP

Muhammad Sajid Annika Stute Allan Jay P. Cardenas Brooks J. Culotta Johannes A. M. Hepperle Timothy H. Warren Birgitta Schirmer Stefan Grimme Armido Studer Constantin G. Daniliuc Roland Fröhlich Jeffrey L. Petersen Gerald Kehr Gerhard Erker

Journal of the American Chemical Society (2012) 134, 10156-10168

a=8.6599(3)Å b=10.7452(8)Å c=21.1333(6)Å

α=84.775(4)° β=82.784(2)° γ=86.802(5)°

C₁₆₅H₁₄₉LiN₁₂O₁₀P₆S₁₂Ti₂

Thorsten Kreickmann Christian Diedrich Tania Pape Han Vinh Huynh Stefan Grimme F. Ekkehardt Hahn

Journal of the American Chemical Society (2006) 128, 11808-11819

a=17.8522(4)Å b=23.0986(5)Å c=37.9215(9)Å

α=90.00° β=99.417(2)° γ=90.00°

C₂₁₃H₁₇₇N₁₃O₉P₈S₁₂Ti₂

Thorsten Kreickmann Christian Diedrich Tania Pape Han Vinh Huynh Stefan Grimme F. Ekkehardt Hahn

Journal of the American Chemical Society (2006) 128, 11808-11819

a=24.5457(16)Å b=24.5457(16)Å c=112.885(10)Å

α=90.00° β=90.00° γ=120.00°

C₁₂₀H₁₀₄N₈O₁₆P₄Ti₂

Thorsten Kreickmann Christian Diedrich Tania Pape Han Vinh Huynh Stefan Grimme F. Ekkehardt Hahn

Journal of the American Chemical Society (2006) 128, 11808-11819

a=14.038(3)Å b=15.014(3)Å c=15.241(3)Å

α=105.879(4)° β=100.689(4)° γ=110.322(4)°

C₃₃H₁₃BF₁₅P

Thomas Wiegand Hellmut Eckert Olga Ekkert Roland Fröhlich Gerald Kehr Gerhard Erker Stefan Grimme

Journal of the American Chemical Society (2012) 134, 4236-4249

a=9.8119(4)Å b=12.8887(11)Å c=14.0085(13)Å

α=102.693(4)° β=95.542(4)° γ=106.709(4)°

Aqua(dibromo)(nitrosyl-κN){bis[tris(1-methylethyl)phosphane]}rhenium(I) tetrahydrofuran disolvate

C₁₈H₄₄Br₂NO₂P₂Re_,2(C₄H₈O)

Yanfeng Jiang Birgitta Schirmer Olivier Blacque Thomas Fox Stefan Grimme Heinz Berke

Journal of the American Chemical Society (2013) 135, 4088-4102

a=11.4412(2)Å b=22.9354(3)Å c=13.1231(2)Å

α=90.00° β=93.608(1)° γ=90.00°

Aqua(diiodo)(nitrosyl-κN)[bis(triscyclohexylphosphane]}rhenium(I) tetrahydrofuran disolvate

C₃₆H₆₈I₂NO₂P₂Re_,2(C₄H₈O)

Yanfeng Jiang Birgitta Schirmer Olivier Blacque Thomas Fox Stefan Grimme Heinz Berke

Journal of the American Chemical Society (2013) 135, 4088-4102

a=10.5635(2)Å b=13.4677(3)Å c=19.2709(4)Å

α=74.211(2)° β=78.467(2)° γ=68.956(2)°

Tricyclohexylphosphonium hydrido(triphenyl)borate

C₁₈H₃₄P_,C₁₈HBF₁₅

Yanfeng Jiang Birgitta Schirmer Olivier Blacque Thomas Fox Stefan Grimme Heinz Berke

Journal of the American Chemical Society (2013) 135, 4088-4102

a=28.9512(6)Å b=11.2765(2)Å c=21.8526(5)Å

α=90.00° β=105.104(2)° γ=90.00°

Carbonyl(diiodo)(nitrosyl-κN)[bis(triscyclohexylphosphane]}rhenium(I) benzene hemisolvate

C₃₇H₆₆I₂NO₂P₂Re_,0.5(C₆H₆)

Yanfeng Jiang Birgitta Schirmer Olivier Blacque Thomas Fox Stefan Grimme Heinz Berke

Journal of the American Chemical Society (2013) 135, 4088-4102

a=10.9949(2)Å b=14.1494(3)Å c=15.0066(3)Å

α=65.381(2)° β=83.432(2)° γ=84.290(2)°

Hydrido(diiodo)(nitrosyl-κN)[bis(tricyclohexylphosphane)]rhenium(II)

C₃₆H₆₇I₂NOP₂Re

Yanfeng Jiang Birgitta Schirmer Olivier Blacque Thomas Fox Stefan Grimme Heinz Berke

Journal of the American Chemical Society (2013) 135, 4088-4102

a=12.0721(2)Å b=12.8950(3)Å c=15.2598(3)Å

α=113.372(2)° β=92.182(2)° γ=111.252(2)°

Total: 624