cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc261fwl
title: CCDC 2027179: Experimental Crystal Structure Determination

description: Related Article: Yuanhong Shu, Kaiqi Ye, Jingbo Sun, Yuan Yue, Cheng Liu, Haoran Wang, Ran Lu|2021|Chem.-Eur.J.|27|17960|doi:10.1002/chem.202103228
description: Related Article: Yuanhong Shu, Kaiqi Ye, Jingbo Sun, Yuan Yue, Cheng Liu, Haoran Wang, Ran Lu|2021|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc25k5sq
title: CCDC 2012513: Experimental Crystal Structure Determination

description: Related Article: Yuanhong Shu, Kaiqi Ye, Jingbo Sun, Yuan Yue, Cheng Liu, Haoran Wang, Ran Lu|2021|Chem.-Eur.J.|27|17960|doi:10.1002/chem.202103228
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc27ygwk
title: CCDC 2083909: Experimental Crystal Structure Determination

description: Related Article: Gao‐Yang Ge, Jia‐Tong Li, Juan‐Rong Wang, Miao Xiong, Xue Dong, Zu‐Jian Li, Jiu‐Long Li, Xiao‐Yu Cao, Ting Lei, Jin‐Liang Wang|2021|Adv.Funct.Mater.|32|2108289|doi:10.1002/adfm.202108289
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc253nb9
title: CCDC 1999510: Experimental Crystal Structure Determination

description: Related Article: Bing Lei,  Xin Wu,  Wei Liu|2021|Crystals|11|594|doi:10.3390/cryst11060594
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc27yh3t
title: CCDC 2083916: Experimental Crystal Structure Determination

description: Related Article: Zi-Hao Zhu, Ze-Long Liang, Sheng-Li Hou, Yao Xie, Yue Ma, Yan Zhang, Bin Zhao|2021|J. Energy  Chem.|63|328|doi:10.1016/j.jechem.2021.09.009
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc27yhf4
title: CCDC 2083926: Experimental Crystal Structure Determination

description: Related Article: Lorenzo Poggini, Erik Tancini, Chiara Danieli, Andrea Luigi Sorrentino, Giulia Serrano, Alessandro Lunghi, Luigi Malavolti, Giuseppe Cucinotta, Anne‐Laure Barra, Amélie Juhin, Marie‐Anne Arrio, Weibin Li, Edwige Otero, Philippe Ohresser, Loïc Joly, Jean Paul Kappler, Federico Totti, Philippe Sainctavit, Andrea Caneschi, Roberta Sessoli, Andrea Cornia, Matteo Mannini|2021|Advanced Materials Interfaces|8|2101182|doi:10.1002/admi.202101182
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc27yhg5
title: CCDC 2083927: Experimental Crystal Structure Determination

description: Related Article: Lorenzo Poggini, Erik Tancini, Chiara Danieli, Andrea Luigi Sorrentino, Giulia Serrano, Alessandro Lunghi, Luigi Malavolti, Giuseppe Cucinotta, Anne‐Laure Barra, Amélie Juhin, Marie‐Anne Arrio, Weibin Li, Edwige Otero, Philippe Ohresser, Loïc Joly, Jean Paul Kappler, Federico Totti, Philippe Sainctavit, Andrea Caneschi, Roberta Sessoli, Andrea Cornia, Matteo Mannini|2021|Advanced Materials Interfaces|8|2101182|doi:10.1002/admi.202101182
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc27yhh6
title: CCDC 2083928: Experimental Crystal Structure Determination

description: Related Article: Lorenzo Poggini, Erik Tancini, Chiara Danieli, Andrea Luigi Sorrentino, Giulia Serrano, Alessandro Lunghi, Luigi Malavolti, Giuseppe Cucinotta, Anne‐Laure Barra, Amélie Juhin, Marie‐Anne Arrio, Weibin Li, Edwige Otero, Philippe Ohresser, Loïc Joly, Jean Paul Kappler, Federico Totti, Philippe Sainctavit, Andrea Caneschi, Roberta Sessoli, Andrea Cornia, Matteo Mannini|2021|Advanced Materials Interfaces|8|2101182|doi:10.1002/admi.202101182
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc27yhj7
title: CCDC 2083929: Experimental Crystal Structure Determination

description: Related Article: Lorenzo Poggini, Erik Tancini, Chiara Danieli, Andrea Luigi Sorrentino, Giulia Serrano, Alessandro Lunghi, Luigi Malavolti, Giuseppe Cucinotta, Anne‐Laure Barra, Amélie Juhin, Marie‐Anne Arrio, Weibin Li, Edwige Otero, Philippe Ohresser, Loïc Joly, Jean Paul Kappler, Federico Totti, Philippe Sainctavit, Andrea Caneschi, Roberta Sessoli, Andrea Cornia, Matteo Mannini|2021|Advanced Materials Interfaces|8|2101182|doi:10.1002/admi.202101182
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc27yhk8
title: CCDC 2083930: Experimental Crystal Structure Determination

description: Related Article: Lorenzo Poggini, Erik Tancini, Chiara Danieli, Andrea Luigi Sorrentino, Giulia Serrano, Alessandro Lunghi, Luigi Malavolti, Giuseppe Cucinotta, Anne‐Laure Barra, Amélie Juhin, Marie‐Anne Arrio, Weibin Li, Edwige Otero, Philippe Ohresser, Loïc Joly, Jean Paul Kappler, Federico Totti, Philippe Sainctavit, Andrea Caneschi, Roberta Sessoli, Andrea Cornia, Matteo Mannini|2021|Advanced Materials Interfaces|8|2101182|doi:10.1002/admi.202101182
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc27yhl9
title: CCDC 2083931: Experimental Crystal Structure Determination

description: Related Article: Lorenzo Poggini, Erik Tancini, Chiara Danieli, Andrea Luigi Sorrentino, Giulia Serrano, Alessandro Lunghi, Luigi Malavolti, Giuseppe Cucinotta, Anne‐Laure Barra, Amélie Juhin, Marie‐Anne Arrio, Weibin Li, Edwige Otero, Philippe Ohresser, Loïc Joly, Jean Paul Kappler, Federico Totti, Philippe Sainctavit, Andrea Caneschi, Roberta Sessoli, Andrea Cornia, Matteo Mannini|2021|Advanced Materials Interfaces|8|2101182|doi:10.1002/admi.202101182
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc27yhmb
title: CCDC 2083932: Experimental Crystal Structure Determination

description: Related Article: Lorenzo Poggini, Erik Tancini, Chiara Danieli, Andrea Luigi Sorrentino, Giulia Serrano, Alessandro Lunghi, Luigi Malavolti, Giuseppe Cucinotta, Anne‐Laure Barra, Amélie Juhin, Marie‐Anne Arrio, Weibin Li, Edwige Otero, Philippe Ohresser, Loïc Joly, Jean Paul Kappler, Federico Totti, Philippe Sainctavit, Andrea Caneschi, Roberta Sessoli, Andrea Cornia, Matteo Mannini|2021|Advanced Materials Interfaces|8|2101182|doi:10.1002/admi.202101182
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc27yjc3
title: CCDC 2083955: Experimental Crystal Structure Determination

description: Related Article: Vladislav Yu. Shuvalov, Anna L. Samsonenko, Yuliya S. Rozhkova, Vyacheslav V. Morozov, Yurii V. Shklyaev, Alexander S. Fisyuk|2021|Chem. Sel.|6|11265|doi:10.1002/slct.202103028
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc27yjd4
title: CCDC 2083956: Experimental Crystal Structure Determination

description: Related Article: Vladislav Yu. Shuvalov, Anna L. Samsonenko, Yuliya S. Rozhkova, Vyacheslav V. Morozov, Yurii V. Shklyaev, Alexander S. Fisyuk|2021|Chem. Sel.|6|11265|doi:10.1002/slct.202103028
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc27shtc
title: CCDC 2079133: Experimental Crystal Structure Determination

description: Related Article: Shubham Deolka, Robert R. Fayzullin, Eugene Khaskin|2022|Chem.-Eur.J.|28||doi:10.1002/chem.202103778
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc27ypqm
title: CCDC 2084121: Experimental Crystal Structure Determination

description: Related Article: Cijil Raju, Kozhukunnon Mridula, Nikitha Srinivasan, Sooraj Kunnikuruvan, Kana M. Sureshan|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202306504
description: Related Article: Mithun C. Madhusudhanan, Haripriya Balan, Daniel B. Werz, Kana M. Sureshan|2021|Angew.Chem.,Int.Ed.|60|22797|doi:10.1002/anie.202106614
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc27jm2h
title: CCDC 2071546: Experimental Crystal Structure Determination

description: Related Article: Yi-Kai Yang,  Cheng-Qi Jiao,  Yin-Shan Meng,  Nian-Tao Yao,  Wen-Jing Jiang,  Tao Liu|2021|Inorg.Chem.Commun.|130|108712|doi:10.1016/j.inoche.2021.108712
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc27jm4k
title: CCDC 2071548: Experimental Crystal Structure Determination

description: Related Article: Yi-Kai Yang,  Cheng-Qi Jiao,  Yin-Shan Meng,  Nian-Tao Yao,  Wen-Jing Jiang,  Tao Liu|2021|Inorg.Chem.Commun.|130|108712|doi:10.1016/j.inoche.2021.108712
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc27jm5l
title: CCDC 2071549: Experimental Crystal Structure Determination

description: Related Article: Yi-Kai Yang,  Cheng-Qi Jiao,  Yin-Shan Meng,  Nian-Tao Yao,  Wen-Jing Jiang,  Tao Liu|2021|Inorg.Chem.Commun.|130|108712|doi:10.1016/j.inoche.2021.108712
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc27jm3j
title: CCDC 2071547: Experimental Crystal Structure Determination

description: Related Article: Yi-Kai Yang,  Cheng-Qi Jiao,  Yin-Shan Meng,  Nian-Tao Yao,  Wen-Jing Jiang,  Tao Liu|2021|Inorg.Chem.Commun.|130|108712|doi:10.1016/j.inoche.2021.108712
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc27ykwn
title: CCDC 2084002: Experimental Crystal Structure Determination

description: Related Article: M. Yu. Stogniy, S. A. Anufriev, E. V. Bogdanova, I. B. Sivaev, V. I. Bregadze|2022|Izv.Akad.Nauk SSSR,Ser.Khim.|71|91|doi:10.1007/s11172-022-3381-x
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc27ykxp
title: CCDC 2084003: Experimental Crystal Structure Determination

description: Related Article: Ekaterina A. Kuchuk, Marina M. Kireenko, Badma N. Mankaev, Kirill V. Zaitsev, Andrei V. Churakov, Elmira Kh. Lermontova, Lyudmila G. Kuz'mina, Yuri F. Oprunenko, Artem E. Zhirnov, Galina S. Zaitseva, Sergey S. Karlov|2021|Chem. Sel.|6|10243|doi:10.1002/slct.202102276
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc27ykyq
title: CCDC 2084004: Experimental Crystal Structure Determination

description: Related Article: Ekaterina A. Kuchuk, Marina M. Kireenko, Badma N. Mankaev, Kirill V. Zaitsev, Andrei V. Churakov, Elmira Kh. Lermontova, Lyudmila G. Kuz'mina, Yuri F. Oprunenko, Artem E. Zhirnov, Galina S. Zaitseva, Sergey S. Karlov|2021|Chem. Sel.|6|10243|doi:10.1002/slct.202102276
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc27ykzr
title: CCDC 2084005: Experimental Crystal Structure Determination

description: Related Article: Ekaterina A. Kuchuk, Marina M. Kireenko, Badma N. Mankaev, Kirill V. Zaitsev, Andrei V. Churakov, Elmira Kh. Lermontova, Lyudmila G. Kuz'mina, Yuri F. Oprunenko, Artem E. Zhirnov, Galina S. Zaitseva, Sergey S. Karlov|2021|Chem. Sel.|6|10243|doi:10.1002/slct.202102276
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc27yl0t
title: CCDC 2084006: Experimental Crystal Structure Determination

description: Related Article: Ekaterina A. Kuchuk, Marina M. Kireenko, Badma N. Mankaev, Kirill V. Zaitsev, Andrei V. Churakov, Elmira Kh. Lermontova, Lyudmila G. Kuz'mina, Yuri F. Oprunenko, Artem E. Zhirnov, Galina S. Zaitseva, Sergey S. Karlov|2021|Chem. Sel.|6|10243|doi:10.1002/slct.202102276
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc27yl1v
title: CCDC 2084007: Experimental Crystal Structure Determination

description: Related Article: Ekaterina A. Kuchuk, Marina M. Kireenko, Badma N. Mankaev, Kirill V. Zaitsev, Andrei V. Churakov, Elmira Kh. Lermontova, Lyudmila G. Kuz'mina, Yuri F. Oprunenko, Artem E. Zhirnov, Galina S. Zaitseva, Sergey S. Karlov|2021|Chem. Sel.|6|10243|doi:10.1002/slct.202102276
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc27ylb4
title: CCDC 2084016: Experimental Crystal Structure Determination

description: Related Article: Yi-Bin Wu, Li Ren, Gui-Ying Dong|2021|Inorg.Chim.Acta|530|120703|doi:10.1016/j.ica.2021.120703
description: Related Article: Yi-Bin Wu, Li Ren, Gui-Ying Dong|2022|Inorg.Chim.Acta|530|120703|doi:10.1016/j.ica.2021.120703
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc27ylc5
title: CCDC 2084017: Experimental Crystal Structure Determination

description: Related Article: Yi-Bin Wu, Li Ren, Gui-Ying Dong|2021|Inorg.Chim.Acta|530|120703|doi:10.1016/j.ica.2021.120703
description: Related Article: Yi-Bin Wu, Li Ren, Gui-Ying Dong|2022|Inorg.Chim.Acta|530|120703|doi:10.1016/j.ica.2021.120703
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc27ylh9
title: CCDC 2084021: Experimental Crystal Structure Determination

description: Related Article: M. Sindhu, P. Kalaivani, F. Dallemer, R. Prabhakaran|2021|Inorg.Chim.Acta|526|120525|doi:10.1016/j.ica.2021.120525
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc27ylzs
title: CCDC 2084036: Experimental Crystal Structure Determination

description: Related Article: Hua‐Jie Jiang, Rui‐Long Geng, Jia‐Hui Wei, Liu‐Zhu Gong|2021|Chin.J.Chem.|39|3269|doi:10.1002/cjoc.202100466
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc27ym2x
title: CCDC 2084039: Experimental Crystal Structure Determination

description: Related Article: Fatemeh Safari, Andrzej Katrusiak|2021|J.Phys.Chem.C|125|23501|doi:10.1021/acs.jpcc.1c07297
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc27ym3y
title: CCDC 2084040: Experimental Crystal Structure Determination

description: Related Article: Fatemeh Safari, Andrzej Katrusiak|2021|J.Phys.Chem.C|125|23501|doi:10.1021/acs.jpcc.1c07297
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.