cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2d27tk
title: CCDC 2206698: Experimental Crystal Structure Determination

description: Related Article: Madhumathi Lakshmipathi, Aminul Islam Sk, Pintu K. Kundu, Srinu Tothadi, Soumyajit Ghosh|2023|Cryst.Growth Des.|23|4939|doi:10.1021/acs.cgd.3c00196
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.cc2d2b0v
title: CCDC 2206766: Experimental Crystal Structure Determination

description: Related Article: Ekaterina A. Orlova, Yuliya V. Romanenko, Vladimir S. Tyurin, Alena O. Shkirdova, Evgeny S. Belyaev, Mikhail S. Grigoriev, Oskar I. Koifman, Ilya A. Zamilatskov|2022|Makrogeterocikly|15|139|doi:10.6060/mhc224638z
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.cc2d2b1w
title: CCDC 2206767: Experimental Crystal Structure Determination

description: Related Article: Ekaterina A. Orlova, Yuliya V. Romanenko, Vladimir S. Tyurin, Alena O. Shkirdova, Evgeny S. Belyaev, Mikhail S. Grigoriev, Oskar I. Koifman, Ilya A. Zamilatskov|2022|Makrogeterocikly|15|139|doi:10.6060/mhc224638z
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.cc2d2b94
title: CCDC 2206775: Experimental Crystal Structure Determination

description: Related Article: Mikhail A. Volkov, Anton P. Novikov, Mikhail S. Grigoriev, Yuri M. Nevolin, Konstantin E. German|2023|Inorg.Chem.|62|256|doi:10.1021/acs.inorgchem.2c03258
description: Related Article: Mikhail A. Volkov, Anton P. Novikov, Mikhail S. Grigoriev, Yuri M. Nevolin, Konstantin E. German|2022|Inorg.Chem.|62|256|doi:10.1021/acs.inorgchem.2c03258
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.cc2d2bb5
title: CCDC 2206776: Experimental Crystal Structure Determination

description: Related Article: Mikhail A. Volkov, Anton P. Novikov, Mikhail S. Grigoriev, Yuri M. Nevolin, Konstantin E. German|2023|Inorg.Chem.|62|256|doi:10.1021/acs.inorgchem.2c03258
description: Related Article: Mikhail A. Volkov, Anton P. Novikov, Mikhail S. Grigoriev, Yuri M. Nevolin, Konstantin E. German|2022|Inorg.Chem.|62|256|doi:10.1021/acs.inorgchem.2c03258
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.cc2d2bc6
title: CCDC 2206777: Experimental Crystal Structure Determination

description: Related Article: Mikhail A. Volkov, Anton P. Novikov, Mikhail S. Grigoriev, Yuri M. Nevolin, Konstantin E. German|2023|Inorg.Chem.|62|256|doi:10.1021/acs.inorgchem.2c03258
description: Related Article: Mikhail A. Volkov, Anton P. Novikov, Mikhail S. Grigoriev, Yuri M. Nevolin, Konstantin E. German|2022|Inorg.Chem.|62|256|doi:10.1021/acs.inorgchem.2c03258
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.cc2d2bd7
title: CCDC 2206778: Experimental Crystal Structure Determination

description: Related Article: Mikhail A. Volkov, Anton P. Novikov, Mikhail S. Grigoriev, Yuri M. Nevolin, Konstantin E. German|2023|Inorg.Chem.|62|256|doi:10.1021/acs.inorgchem.2c03258
description: Related Article: Mikhail A. Volkov, Anton P. Novikov, Mikhail S. Grigoriev, Yuri M. Nevolin, Konstantin E. German|2022|Inorg.Chem.|62|256|doi:10.1021/acs.inorgchem.2c03258
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.cc2d2bg9
title: CCDC 2206780: Experimental Crystal Structure Determination

description: Related Article: Mikhail A. Volkov, Anton P. Novikov, Mikhail S. Grigoriev, Yuri M. Nevolin, Konstantin E. German|2023|Inorg.Chem.|62|256|doi:10.1021/acs.inorgchem.2c03258
description: Related Article: Mikhail A. Volkov, Anton P. Novikov, Mikhail S. Grigoriev, Yuri M. Nevolin, Konstantin E. German|2022|Inorg.Chem.|62|256|doi:10.1021/acs.inorgchem.2c03258
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.cc2d2c51
title: CCDC 2206802: Experimental Crystal Structure Determination

description: Related Article: Pavel D. Komarov, Kirill P. Birin, Alexander A. Vinogradov, Evgenia A. Varaksina, Lada N. Puntus, Konstantin A. Lyssenko, Andrei V. Churakov, Ilya E. Nifant'ev, Mikhail E. Minyaev, Dmitrii M. Roitershtein|2022|Molecules|27|7725|doi:10.3390/molecules27227725
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.cc2d2cxs
title: CCDC 2206825: Experimental Crystal Structure Determination

description: Related Article: Iida Partanen, Omar Al-Saedy, Toni Eskelinen, Antti J. Karttunen, Jarkko J. Saarinen, Ondrej Mrózek, Andreas Steffen, Andrey Belyaev, Pi-Tai Chou, Igor O. Koshevoy|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202305108
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.cc2d2cyt
title: CCDC 2206826: Experimental Crystal Structure Determination

description: Related Article: Iida Partanen, Omar Al-Saedy, Toni Eskelinen, Antti J. Karttunen, Jarkko J. Saarinen, Ondrej Mrózek, Andreas Steffen, Andrey Belyaev, Pi-Tai Chou, Igor O. Koshevoy|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202305108
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.cc2d2czv
title: CCDC 2206827: Experimental Crystal Structure Determination

description: Related Article: Iida Partanen, Omar Al-Saedy, Toni Eskelinen, Antti J. Karttunen, Jarkko J. Saarinen, Ondrej Mrózek, Andreas Steffen, Andrey Belyaev, Pi-Tai Chou, Igor O. Koshevoy|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202305108
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.cc2d2d0x
title: CCDC 2206828: Experimental Crystal Structure Determination

description: Related Article: Iida Partanen, Omar Al-Saedy, Toni Eskelinen, Antti J. Karttunen, Jarkko J. Saarinen, Ondrej Mrózek, Andreas Steffen, Andrey Belyaev, Pi-Tai Chou, Igor O. Koshevoy|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202305108
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.cc2d2d2z
title: CCDC 2206830: Experimental Crystal Structure Determination

description: Related Article: Iida Partanen, Omar Al-Saedy, Toni Eskelinen, Antti J. Karttunen, Jarkko J. Saarinen, Ondrej Mrózek, Andreas Steffen, Andrey Belyaev, Pi-Tai Chou, Igor O. Koshevoy|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202305108
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.cc2d2d30
title: CCDC 2206831: Experimental Crystal Structure Determination

description: Related Article: Iida Partanen, Omar Al-Saedy, Toni Eskelinen, Antti J. Karttunen, Jarkko J. Saarinen, Ondrej Mrózek, Andreas Steffen, Andrey Belyaev, Pi-Tai Chou, Igor O. Koshevoy|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202305108
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.cc2d2d41
title: CCDC 2206832: Experimental Crystal Structure Determination

description: Related Article: Iida Partanen, Omar Al-Saedy, Toni Eskelinen, Antti J. Karttunen, Jarkko J. Saarinen, Ondrej Mrózek, Andreas Steffen, Andrey Belyaev, Pi-Tai Chou, Igor O. Koshevoy|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202305108
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.cc2d2d52
title: CCDC 2206833: Experimental Crystal Structure Determination

description: Related Article: Iida Partanen, Omar Al-Saedy, Toni Eskelinen, Antti J. Karttunen, Jarkko J. Saarinen, Ondrej Mrózek, Andreas Steffen, Andrey Belyaev, Pi-Tai Chou, Igor O. Koshevoy|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202305108
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.cc2d2jvw
title: CCDC 2206978: Experimental Crystal Structure Determination

description: Related Article: Zuozhong Liang, Guojun Zhou, Huang Tan, Yonghong Mou, Jieling Zhang, Hongbo Guo, Shujiao Yang, Haitao Lei, Haoquan Zheng, Wei Zhang, Haiping Lin, Rui Cao|2024|Adv.Mater.|36|2408094|doi:10.1002/adma.202408094
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.cc2d2jz0
title: CCDC 2206982: Experimental Crystal Structure Determination

description: Related Article: Zuozhong Liang, Guojun Zhou, Huang Tan, Yonghong Mou, Jieling Zhang, Hongbo Guo, Shujiao Yang, Haitao Lei, Haoquan Zheng, Wei Zhang, Haiping Lin, Rui Cao|2024|Adv.Mater.|36|2408094|doi:10.1002/adma.202408094
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.cc2d2d74
title: CCDC 2206835: Experimental Crystal Structure Determination

description: Related Article: Janine Richter, Tobias Pietsch, Michael Ruck
|2023|ChemSusChem|16|e202300090|doi:10.1002/cssc.202300090
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.cc2d2d85
title: CCDC 2206836: Experimental Crystal Structure Determination

description: Related Article: Janine Richter, Tobias Pietsch, Michael Ruck
|2023|ChemSusChem|16|e202300090|doi:10.1002/cssc.202300090
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.cc2d2d96
title: CCDC 2206837: Experimental Crystal Structure Determination

description: Related Article: Janine Richter, Tobias Pietsch, Michael Ruck
|2023|ChemSusChem|16|e202300090|doi:10.1002/cssc.202300090
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.cc2d2dc8
title: CCDC 2206839: Experimental Crystal Structure Determination

description: Related Article: Amit Mahindra, Laura Jenkins, Sara Marsango, Mark Huggett, Margaret Huggett, Lindsay Robinson, Jonathan Gillespie, Muralikrishnan Rajamanickam, Angus Morrison, Stuart McElroy, Irina G. Tikhonova, Graeme Milligan, Andrew G. Jamieson|2022|J.Med.Chem.|65|11270|doi:10.1021/acs.jmedchem.2c00804
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.cc2d2dd9
title: CCDC 2206840: Experimental Crystal Structure Determination

description: Related Article: Amit Mahindra, Laura Jenkins, Sara Marsango, Mark Huggett, Margaret Huggett, Lindsay Robinson, Jonathan Gillespie, Muralikrishnan Rajamanickam, Angus Morrison, Stuart McElroy, Irina G. Tikhonova, Graeme Milligan, Andrew G. Jamieson|2022|J.Med.Chem.|65|11270|doi:10.1021/acs.jmedchem.2c00804
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.cc2d2dhd
title: CCDC 2206843: Experimental Crystal Structure Determination

description: Related Article: Huang Wu, Yu Wang, Chun Tang, Leighton O. Jones, Bo Song, Xiao-Yang Chen, Long Zhang, Yong Wu, Charlotte L. Stern, George C. Schatz, Wenqi Liu, J. Fraser Stoddart|2023|Nat.Commun.|14|1284|doi:10.1038/s41467-023-36591-0
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.cc2d2djf
title: CCDC 2206844: Experimental Crystal Structure Determination

description: Related Article: Huang Wu, Yu Wang, Chun Tang, Leighton O. Jones, Bo Song, Xiao-Yang Chen, Long Zhang, Yong Wu, Charlotte L. Stern, George C. Schatz, Wenqi Liu, J. Fraser Stoddart|2023|Nat.Commun.|14|1284|doi:10.1038/s41467-023-36591-0
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.cc2d2dkg
title: CCDC 2206845: Experimental Crystal Structure Determination

description: Related Article: Huang Wu, Yu Wang, Chun Tang, Leighton O. Jones, Bo Song, Xiao-Yang Chen, Long Zhang, Yong Wu, Charlotte L. Stern, George C. Schatz, Wenqi Liu, J. Fraser Stoddart|2023|Nat.Commun.|14|1284|doi:10.1038/s41467-023-36591-0
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.cc2d2dlh
title: CCDC 2206846: Experimental Crystal Structure Determination

description: Related Article: Huang Wu, Yu Wang, Chun Tang, Leighton O. Jones, Bo Song, Xiao-Yang Chen, Long Zhang, Yong Wu, Charlotte L. Stern, George C. Schatz, Wenqi Liu, J. Fraser Stoddart|2023|Nat.Commun.|14|1284|doi:10.1038/s41467-023-36591-0
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.cc2d2dzw
title: CCDC 2206858: Experimental Crystal Structure Determination

description: Related Article: Tsz-Yu Hung, Dietmar Kuck, Hak-Fun Chow|2023|Chem.-Eur.J.|29|e202203749|doi:10.1002/chem.202203749
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.cc2d2f0y
title: CCDC 2206859: Experimental Crystal Structure Determination

description: Related Article: Tsz-Yu Hung, Dietmar Kuck, Hak-Fun Chow|2023|Chem.-Eur.J.|29|e202203749|doi:10.1002/chem.202203749
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.cc2d2f1z
title: CCDC 2206860: Experimental Crystal Structure Determination

description: Related Article: Tsz-Yu Hung, Dietmar Kuck, Hak-Fun Chow|2023|Chem.-Eur.J.|29|e202203749|doi:10.1002/chem.202203749
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.cc2d2f20
title: CCDC 2206861: Experimental Crystal Structure Determination

description: Related Article: Tsz-Yu Hung, Dietmar Kuck, Hak-Fun Chow|2023|Chem.-Eur.J.|29|e202203749|doi:10.1002/chem.202203749
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.cc2d2g43
title: CCDC 2206894: Experimental Crystal Structure Determination

description: Related Article: Xueli Liu, Rui Gao, Zhen Liu, Jialin Ming, Yi Qiu, Jie Su, Liangbing Gan|2023|Chin.J.Chem.|41|1471|doi:10.1002/cjoc.202200829
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.cc2d2gcb
title: CCDC 2206901: Experimental Crystal Structure Determination

description: Related Article: Sarani Kankanamge, Zeinab G. Khalil, Paul V. Bernhardt, Robert J. Capon|2022|Marine Drugs|20|698|doi:10.3390/md20110698
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.