cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2czvfn
title: CCDC 2204392: Experimental Crystal Structure Determination

description: Related Article: Perumal Venkatesan, Fermin Flores-Manuel, Sylvain Bernès, Margarita Cerón, Enrique Pérez-Gutiérrez, Subbiah Thamotharan, M. Judith Percino, Herbert Höpfl, Martha V. Sosa-Rivadeneyra|2023|J.Mol.Struct.|1280|135074|doi:10.1016/j.molstruc.2023.135074
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.cc2czvgp
title: CCDC 2204393: Experimental Crystal Structure Determination

description: Related Article: Perumal Venkatesan, Fermin Flores-Manuel, Sylvain Bernès, Margarita Cerón, Enrique Pérez-Gutiérrez, Subbiah Thamotharan, M. Judith Percino, Herbert Höpfl, Martha V. Sosa-Rivadeneyra|2023|J.Mol.Struct.|1280|135074|doi:10.1016/j.molstruc.2023.135074
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.cc2czvhq
title: CCDC 2204394: Experimental Crystal Structure Determination

description: Related Article: Perumal Venkatesan, Fermin Flores-Manuel, Sylvain Bernès, Margarita Cerón, Enrique Pérez-Gutiérrez, Subbiah Thamotharan, M. Judith Percino, Herbert Höpfl, Martha V. Sosa-Rivadeneyra|2023|J.Mol.Struct.|1280|135074|doi:10.1016/j.molstruc.2023.135074
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.cc2czvjr
title: CCDC 2204395: Experimental Crystal Structure Determination

description: Related Article: Perumal Venkatesan, Fermin Flores-Manuel, Sylvain Bernès, Margarita Cerón, Enrique Pérez-Gutiérrez, Subbiah Thamotharan, M. Judith Percino, Herbert Höpfl, Martha V. Sosa-Rivadeneyra|2023|J.Mol.Struct.|1280|135074|doi:10.1016/j.molstruc.2023.135074
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.cc2czvks
title: CCDC 2204396: Experimental Crystal Structure Determination

description: Related Article: Perumal Venkatesan, Fermin Flores-Manuel, Sylvain Bernès, Margarita Cerón, Enrique Pérez-Gutiérrez, Subbiah Thamotharan, M. Judith Percino, Herbert Höpfl, Martha V. Sosa-Rivadeneyra|2023|J.Mol.Struct.|1280|135074|doi:10.1016/j.molstruc.2023.135074
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.cc2czvlt
title: CCDC 2204397: Experimental Crystal Structure Determination

description: Related Article: Luis F. Valdez Pérez, Sylvestre P. J. T. Bachollet, Nikolai V. Orlov, Kenji P. M. Kopf, Joseph P. A. Harrity|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202213692
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.cc2czvmv
title: CCDC 2204398: Experimental Crystal Structure Determination

description: Related Article: Luis F. Valdez Pérez, Sylvestre P. J. T. Bachollet, Nikolai V. Orlov, Kenji P. M. Kopf, Joseph P. A. Harrity|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202213692
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.cc2czvnw
title: CCDC 2204399: Experimental Crystal Structure Determination

description: Related Article: Luis F. Valdez Pérez, Sylvestre P. J. T. Bachollet, Nikolai V. Orlov, Kenji P. M. Kopf, Joseph P. A. Harrity|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202213692
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.cc2czvpx
title: CCDC 2204400: Experimental Crystal Structure Determination

description: Related Article: Luis F. Valdez Pérez, Sylvestre P. J. T. Bachollet, Nikolai V. Orlov, Kenji P. M. Kopf, Joseph P. A. Harrity|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202213692
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.cc2czvqy
title: CCDC 2204401: Experimental Crystal Structure Determination

description: Related Article: Luis F. Valdez Pérez, Sylvestre P. J. T. Bachollet, Nikolai V. Orlov, Kenji P. M. Kopf, Joseph P. A. Harrity|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202213692
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.cc2czvrz
title: CCDC 2204402: Experimental Crystal Structure Determination

description: Related Article: Luis F. Valdez Pérez, Sylvestre P. J. T. Bachollet, Nikolai V. Orlov, Kenji P. M. Kopf, Joseph P. A. Harrity|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202213692
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.cc2czwkt
title: CCDC 2204427: Experimental Crystal Structure Determination

description: Related Article: Meng He, Yinlin Chen, Wanpeng Lu, Lixia Guo, Kui Hu, Xue Han, Inigo Vitorica-Yrezabal, Catherine Dejoie, Andrew N. Fitch, Martin Schröder, Sihai Yang|2024|ACS Applied Materials and Interfaces|16|32524|doi:10.1021/acsami.4c05611
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.cc2czx4f
title: CCDC 2204445: Experimental Crystal Structure Determination

description: Related Article: Samuel Newman-Stonebraker, T. Judah Raab, Hootan Roshandel, Abigail Doyle|2023|ChemRxiv|||doi:10.26434/chemrxiv-2023-mt7tz
description: Related Article: Samuel H. Newman-Stonebraker, T. Judah Raab, Hootan Roshandel, Abigail G. Doyle|2023|J.Am.Chem.Soc.|145|19368|doi:10.1021/jacs.3c06233
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.cc2czx5g
title: CCDC 2204446: Experimental Crystal Structure Determination

description: Related Article: Samuel Newman-Stonebraker, T. Judah Raab, Hootan Roshandel, Abigail Doyle|2023|ChemRxiv|||doi:10.26434/chemrxiv-2023-mt7tz
description: Related Article: Samuel H. Newman-Stonebraker, T. Judah Raab, Hootan Roshandel, Abigail G. Doyle|2023|J.Am.Chem.Soc.|145|19368|doi:10.1021/jacs.3c06233
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.cc2czx6h
title: CCDC 2204447: Experimental Crystal Structure Determination

description: Related Article: Samuel Newman-Stonebraker, T. Judah Raab, Hootan Roshandel, Abigail Doyle|2023|ChemRxiv|||doi:10.26434/chemrxiv-2023-mt7tz
description: Related Article: Samuel H. Newman-Stonebraker, T. Judah Raab, Hootan Roshandel, Abigail G. Doyle|2023|J.Am.Chem.Soc.|145|19368|doi:10.1021/jacs.3c06233
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.cc2czx7j
title: CCDC 2204448: Experimental Crystal Structure Determination

description: Related Article: Samuel Newman-Stonebraker, T. Judah Raab, Hootan Roshandel, Abigail Doyle|2023|ChemRxiv|||doi:10.26434/chemrxiv-2023-mt7tz
description: Related Article: Samuel H. Newman-Stonebraker, T. Judah Raab, Hootan Roshandel, Abigail G. Doyle|2023|J.Am.Chem.Soc.|145|19368|doi:10.1021/jacs.3c06233
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.cc2czx8k
title: CCDC 2204449: Experimental Crystal Structure Determination

description: Related Article: Samuel Newman-Stonebraker, T. Judah Raab, Hootan Roshandel, Abigail Doyle|2023|ChemRxiv|||doi:10.26434/chemrxiv-2023-mt7tz
description: Related Article: Samuel H. Newman-Stonebraker, T. Judah Raab, Hootan Roshandel, Abigail G. Doyle|2023|J.Am.Chem.Soc.|145|19368|doi:10.1021/jacs.3c06233
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.cc2czx9l
title: CCDC 2204450: Experimental Crystal Structure Determination

description: Related Article: Samuel Newman-Stonebraker, T. Judah Raab, Hootan Roshandel, Abigail Doyle|2023|ChemRxiv|||doi:10.26434/chemrxiv-2023-mt7tz
description: Related Article: Samuel H. Newman-Stonebraker, T. Judah Raab, Hootan Roshandel, Abigail G. Doyle|2023|J.Am.Chem.Soc.|145|19368|doi:10.1021/jacs.3c06233
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.cc2czxbm
title: CCDC 2204451: Experimental Crystal Structure Determination

description: Related Article: Samuel Newman-Stonebraker, T. Judah Raab, Hootan Roshandel, Abigail Doyle|2023|ChemRxiv|||doi:10.26434/chemrxiv-2023-mt7tz
description: Related Article: Samuel H. Newman-Stonebraker, T. Judah Raab, Hootan Roshandel, Abigail G. Doyle|2023|J.Am.Chem.Soc.|145|19368|doi:10.1021/jacs.3c06233
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.cc2czxcn
title: CCDC 2204452: Experimental Crystal Structure Determination

description: Related Article: Samuel Newman-Stonebraker, T. Judah Raab, Hootan Roshandel, Abigail Doyle|2023|ChemRxiv|||doi:10.26434/chemrxiv-2023-mt7tz
description: Related Article: Samuel H. Newman-Stonebraker, T. Judah Raab, Hootan Roshandel, Abigail G. Doyle|2023|J.Am.Chem.Soc.|145|19368|doi:10.1021/jacs.3c06233
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.cc2czxfq
title: CCDC 2204454: Experimental Crystal Structure Determination

description: Related Article: Samuel Newman-Stonebraker, T. Judah Raab, Hootan Roshandel, Abigail Doyle|2023|ChemRxiv|||doi:10.26434/chemrxiv-2023-mt7tz
description: Related Article: Samuel H. Newman-Stonebraker, T. Judah Raab, Hootan Roshandel, Abigail G. Doyle|2023|J.Am.Chem.Soc.|145|19368|doi:10.1021/jacs.3c06233
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.cc2czxgr
title: CCDC 2204455: Experimental Crystal Structure Determination

description: Related Article: Samuel Newman-Stonebraker, T. Judah Raab, Hootan Roshandel, Abigail Doyle|2023|ChemRxiv|||doi:10.26434/chemrxiv-2023-mt7tz
description: Related Article: Samuel H. Newman-Stonebraker, T. Judah Raab, Hootan Roshandel, Abigail G. Doyle|2023|J.Am.Chem.Soc.|145|19368|doi:10.1021/jacs.3c06233
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.cc2czxjt
title: CCDC 2204457: Experimental Crystal Structure Determination

description: Related Article: Samuel Newman-Stonebraker, T. Judah Raab, Hootan Roshandel, Abigail Doyle|2023|ChemRxiv|||doi:10.26434/chemrxiv-2023-mt7tz
description: Related Article: Samuel H. Newman-Stonebraker, T. Judah Raab, Hootan Roshandel, Abigail G. Doyle|2023|J.Am.Chem.Soc.|145|19368|doi:10.1021/jacs.3c06233
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.cc2czxlw
title: CCDC 2204459: Experimental Crystal Structure Determination

description: Related Article: Samuel Newman-Stonebraker, T. Judah Raab, Hootan Roshandel, Abigail Doyle|2023|ChemRxiv|||doi:10.26434/chemrxiv-2023-mt7tz
description: Related Article: Samuel H. Newman-Stonebraker, T. Judah Raab, Hootan Roshandel, Abigail G. Doyle|2023|J.Am.Chem.Soc.|145|19368|doi:10.1021/jacs.3c06233
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.cc2czzv6
title: CCDC 2204529: Experimental Crystal Structure Determination

description: Related Article: Mohamed R. El-kholany, Nana Kishimoto, Kenta Tanaka, Hiroyoshi Takamura, Isao Kadota|2023|Bull.Chem.Soc.Jpn.|96|1316|doi:10.1246/bcsj.20230195
description: Related Article: Mohamed R. El-kholany, Nana Kishimoto, Kenta Tanaka, Hiroyoshi Takamura, Isao Kadota|2024|Tetrahedron|165|134137|doi:10.1016/j.tet.2024.134137
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.cc2czzw7
title: CCDC 2204530: Experimental Crystal Structure Determination

description: Related Article: Manas Chowdhury,  Niladri Biswas,  Sandeepta Saha,  Ennio Zangrando,  Corrado Rizzoli,  Nayim Sepay,  Chirantan Roy Choudhury|2023|Transition Met.Chem.|48|63|doi:10.1007/s11243-023-00523-0
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.cc2czy3f
title: CCDC 2204475: Experimental Crystal Structure Determination

description: Related Article: Kosuke Yasui, Ryosuke Isogai, Aiko Fukazawa|2022|Eur.J.Org.Chem.|2022|e202201029|doi:10.1002/ejoc.202201029
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.cc2czy4g
title: CCDC 2204476: Experimental Crystal Structure Determination

description: Related Article: Kosuke Yasui, Ryosuke Isogai, Aiko Fukazawa|2022|Eur.J.Org.Chem.|2022|e202201029|doi:10.1002/ejoc.202201029
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.cc2czzx8
title: CCDC 2204531: Experimental Crystal Structure Determination

description: Related Article: Manas Chowdhury,  Niladri Biswas,  Sandeepta Saha,  Ennio Zangrando,  Corrado Rizzoli,  Nayim Sepay,  Chirantan Roy Choudhury|2023|Transition Met.Chem.|48|63|doi:10.1007/s11243-023-00523-0
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.cc2czy5h
title: CCDC 2204477: Experimental Crystal Structure Determination

description: Related Article: Kosuke Yasui, Ryosuke Isogai, Aiko Fukazawa|2022|Eur.J.Org.Chem.|2022|e202201029|doi:10.1002/ejoc.202201029
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.cc2czy6j
title: CCDC 2204478: Experimental Crystal Structure Determination

description: Related Article: Kosuke Yasui, Ryosuke Isogai, Aiko Fukazawa|2022|Eur.J.Org.Chem.|2022|e202201029|doi:10.1002/ejoc.202201029
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.cc2czydq
title: CCDC 2204484: Experimental Crystal Structure Determination

description: Related Article: Renan C.F. Leitao, Francisco Silva, Gabriel H. Ribeiro, Isabel C. Santos, Joana F. Guerreiro, Filipa Mendes, Alzir A. Batista, Fernando R. Pavan, Pedro Ivo da S. Maia, António Paulo, Victor M. Deflon|2023|J.Inorg.Biochem.|240|112091|doi:10.1016/j.jinorgbio.2022.112091
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.cc2czyfr
title: CCDC 2204485: Experimental Crystal Structure Determination

description: Related Article: Renan C.F. Leitao, Francisco Silva, Gabriel H. Ribeiro, Isabel C. Santos, Joana F. Guerreiro, Filipa Mendes, Alzir A. Batista, Fernando R. Pavan, Pedro Ivo da S. Maia, António Paulo, Victor M. Deflon|2023|J.Inorg.Biochem.|240|112091|doi:10.1016/j.jinorgbio.2022.112091
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.