cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2cpvpm
title: CCDC 2195751: Experimental Crystal Structure Determination

description: Related Article: Chenggang Jiang, Louise M. Cañada, Ngoc Bao Nguyen, Thomas S. Teets|2022|J.Organomet.Chem.|984|122561|doi:10.1016/j.jorganchem.2022.122561
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.cc2cpvqn
title: CCDC 2195752: Experimental Crystal Structure Determination

description: Related Article: Chenggang Jiang, Louise M. Cañada, Ngoc Bao Nguyen, Thomas S. Teets|2022|J.Organomet.Chem.|984|122561|doi:10.1016/j.jorganchem.2022.122561
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.cc2cpvvs
title: CCDC 2195756: Experimental Crystal Structure Determination

description: Related Article: Weibin Liang, Muhammad Zulkarnain Mohd Noor, William Lewis, Alexander Macmillan, Xingmo Zhang, Rui Tang, Alena Kochubei, Dianne Wiley, Brian S. Haynes, Jun Huang|2023|ChemPhotoChem|7||doi:10.1002/cptc.202300031
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.cc2cpwdc
title: CCDC 2195773: Experimental Crystal Structure Determination

description: Related Article: Gareth G. Doherty, Geraldine Jia Ming Ler, Norbert Wimmer, Paul V. Bernhardt, Roger A. Ashmus, David J. Vocadlo, Zachary Armstrong, Gideon J. Davies, Marco Maccarana, Jin‐ping Li, Yasmin Kayal, Vito Ferro|2023|ChemBioChem|24|e202200619|doi:10.1002/cbic.202200619
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.cc2cpwfd
title: CCDC 2195774: Experimental Crystal Structure Determination

description: Related Article: Gareth G. Doherty, Geraldine Jia Ming Ler, Norbert Wimmer, Paul V. Bernhardt, Roger A. Ashmus, David J. Vocadlo, Zachary Armstrong, Gideon J. Davies, Marco Maccarana, Jin‐ping Li, Yasmin Kayal, Vito Ferro|2023|ChemBioChem|24|e202200619|doi:10.1002/cbic.202200619
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.cc2cpwgf
title: CCDC 2195775: Experimental Crystal Structure Determination

description: Related Article: Gareth G. Doherty, Geraldine Jia Ming Ler, Norbert Wimmer, Paul V. Bernhardt, Roger A. Ashmus, David J. Vocadlo, Zachary Armstrong, Gideon J. Davies, Marco Maccarana, Jin‐ping Li, Yasmin Kayal, Vito Ferro|2023|ChemBioChem|24|e202200619|doi:10.1002/cbic.202200619
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: 10.15468/dl.czgf4t
title: Occurrence Download

description: A dataset containing 357 species occurrences available in GBIF matching the query:
{
 "and" : [
 "DatasetKey is one of (UTEP Herpetology (Arctos), CAS Herpetology (HERP), Actualización y enriquecimiento de las bases de datos del proyecto de evaluación y análisis geográfico de la diversidad faunística de Chiapas, Apoyo a las colecciones biológicas de la Facultad de Ciencias de la UNAM: Fase 1 (Herpetológica), Apoyo a las colecciones biológicas de la Facultad de Ciencias de la UNAM: Fase 1 (MZFC_HE), Análisis de las relaciones entre las diversidades alfa, beta y gamma a distintos niveles de escala espacial: Procesos históricos y ecológicos que intervienen. V Etapa, Digitalización y Sistematización de las Colecciones Biológicas Nacionales del Instituto de Biología, UNAM (vertebrados), Fortalecimiento de las colecciones de ECOSUR. Primera fase (Herpetológica San cristóbal), Conservación y monitoreo de anfibios en riesgo de extinción en Chiapas)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Craugastor pygmaeus",
 "Year 1960-2025"
 ]
}

 The dataset includes 357 records from 9 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000182-251025141854904/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5517/ccdc.csd.cc2cpwhg
title: CCDC 2195776: Experimental Crystal Structure Determination

description: Related Article: Gareth G. Doherty, Geraldine Jia Ming Ler, Norbert Wimmer, Paul V. Bernhardt, Roger A. Ashmus, David J. Vocadlo, Zachary Armstrong, Gideon J. Davies, Marco Maccarana, Jin‐ping Li, Yasmin Kayal, Vito Ferro|2023|ChemBioChem|24|e202200619|doi:10.1002/cbic.202200619
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.cc2cpwpn
title: CCDC 2195782: Experimental Crystal Structure Determination

description: Related Article: Yannick Kraemer, Clément Ghiazza, Abbey N. Ragan, Shengyang Ni, Sigrid Lutz, Elizabeth K. Neumann, James C. Fettinger, Nils Nöthling, Richard Goddard, Josep Cornella, Cody Ross Pitts|2023|Angew.Chem.,Int.Ed.|61||doi:10.1002/anie.202211892
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.cc2cpwqp
title: CCDC 2195783: Experimental Crystal Structure Determination

description: Related Article: Yannick Kraemer, Clément Ghiazza, Abbey N. Ragan, Shengyang Ni, Sigrid Lutz, Elizabeth K. Neumann, James C. Fettinger, Nils Nöthling, Richard Goddard, Josep Cornella, Cody Ross Pitts|2023|Angew.Chem.,Int.Ed.|61||doi:10.1002/anie.202211892
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.cc2cpwrq
title: CCDC 2195784: Experimental Crystal Structure Determination

description: Related Article: Yannick Kraemer, Clément Ghiazza, Abbey N. Ragan, Shengyang Ni, Sigrid Lutz, Elizabeth K. Neumann, James C. Fettinger, Nils Nöthling, Richard Goddard, Josep Cornella, Cody Ross Pitts|2023|Angew.Chem.,Int.Ed.|61||doi:10.1002/anie.202211892
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.cc2cpwsr
title: CCDC 2195785: Experimental Crystal Structure Determination

description: Related Article: Yannick Kraemer, Clément Ghiazza, Abbey N. Ragan, Shengyang Ni, Sigrid Lutz, Elizabeth K. Neumann, James C. Fettinger, Nils Nöthling, Richard Goddard, Josep Cornella, Cody Ross Pitts|2023|Angew.Chem.,Int.Ed.|61||doi:10.1002/anie.202211892
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.cc2cpwts
title: CCDC 2195786: Experimental Crystal Structure Determination

description: Related Article: Yannick Kraemer, Clément Ghiazza, Abbey N. Ragan, Shengyang Ni, Sigrid Lutz, Elizabeth K. Neumann, James C. Fettinger, Nils Nöthling, Richard Goddard, Josep Cornella, Cody Ross Pitts|2023|Angew.Chem.,Int.Ed.|61||doi:10.1002/anie.202211892
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.cc2cpwwv
title: CCDC 2195788: Experimental Crystal Structure Determination

description: Related Article: Kazunori Motai, Nao Koishihara, Takuma Narimatsu, Hiroyoshi Ohtsu, Masaki Kawano, Yuki Wada, Kazuki Akisawa, Koji Okuwaki, Takehiko Mori, Ji-Seon Kim, Yuji Mochizuki, Yuhei Hayamizu|2023|Cryst.Growth Des.|23|4556|doi:10.1021/acs.cgd.3c00302
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.cc2cpwyx
title: CCDC 2195790: Experimental Crystal Structure Determination

description: Related Article: Kazunori Motai, Nao Koishihara, Takuma Narimatsu, Hiroyoshi Ohtsu, Masaki Kawano, Yuki Wada, Kazuki Akisawa, Koji Okuwaki, Takehiko Mori, Ji-Seon Kim, Yuji Mochizuki, Yuhei Hayamizu|2023|Cryst.Growth Des.|23|4556|doi:10.1021/acs.cgd.3c00302
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.cc2cpwzy
title: CCDC 2195791: Experimental Crystal Structure Determination

description: Related Article: Aamer Saeed, Syeda Abida Ejaz, Aqsa Khalid, Pervaiz Ali Channar, Mubashir Aziz, Qamar Abbas, Tanveer A. Wani, Nawaf A. Alsaif, Mohammed M. Alanazi, Abdullah M. Al-Hossaini, Nojood Altwaijry, Seema Zargar, Muawya Elhadi, Tuncer Hökelek|2022|Int.J.Mol.Sci.|23|13164|doi:10.3390/ijms232113164
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.cc2cpx33
title: CCDC 2195795: Experimental Crystal Structure Determination

description: Related Article: Tian-Ming Lv, Rui Guo, Bo-Han Yang, Peng Zhao, Bin Lin, Xiao-Xiao Huang, Shao-Jiang Song|2024|Phytochemistry|222|114067|doi:10.1016/j.phytochem.2024.114067
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.cc2cpx44
title: CCDC 2195796: Experimental Crystal Structure Determination

description: Related Article: Tian-Ming Lv, Rui Guo, Bo-Han Yang, Peng Zhao, Bin Lin, Xiao-Xiao Huang, Shao-Jiang Song|2024|Phytochemistry|222|114067|doi:10.1016/j.phytochem.2024.114067
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.cc2cpxdd
title: CCDC 2195804: Experimental Crystal Structure Determination

description: Related Article: Robin Ammenhäuser, Patrick Klein, Eva Schmid, Sabrina Streicher, Jan Vogelsang, Christian W. Lehmann, John M. Lupton, Stefan C. J. Meskers, Ullrich Scherf|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202211946
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.cc2cpxff
title: CCDC 2195805: Experimental Crystal Structure Determination

description: Related Article: Yinuo Zhu, Maosheng Li, Yanchao Wang, Xianhong Wang, Youhua Tao|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202302898
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.cc2cpxgg
title: CCDC 2195806: Experimental Crystal Structure Determination

description: Related Article: Huan Luo, Junzhi Liu|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202302761
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.cc2cpy12
title: CCDC 2195824: Experimental Crystal Structure Determination

description: Related Article: Yanhong Zhu, Zhongkui Li, Xue Zhong, Xuan Wu, Yongqiu Lu, Maroof Ahmad Khan, Hui Li|2022|Inorg.Chem.|61|19425|doi:10.1021/acs.inorgchem.2c03285
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.cc2cpxhh
title: CCDC 2195807: Experimental Crystal Structure Determination

description: Related Article: Tobias Schnitzer, Nils Trapp, Lisa‐Marie Fischer, Helma Wennemers|2023|J.Pept.Sci.|29|e3473|doi:10.1002/psc.3473
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.cc2cpy23
title: CCDC 2195825: Experimental Crystal Structure Determination

description: Related Article: Yanhong Zhu, Zhongkui Li, Xue Zhong, Xuan Wu, Yongqiu Lu, Maroof Ahmad Khan, Hui Li|2022|Inorg.Chem.|61|19425|doi:10.1021/acs.inorgchem.2c03285
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.cc2cpxmm
title: CCDC 2195811: Experimental Crystal Structure Determination

description: Related Article: Tobias Schnitzer, Nils Trapp, Lisa‐Marie Fischer, Helma Wennemers|2023|J.Pept.Sci.|29|e3473|doi:10.1002/psc.3473
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.cc2cpxnn
title: CCDC 2195812: Experimental Crystal Structure Determination

description: Related Article: Tobias Schnitzer, Nils Trapp, Lisa‐Marie Fischer, Helma Wennemers|2023|J.Pept.Sci.|29|e3473|doi:10.1002/psc.3473
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.cc2cpydf
title: CCDC 2195835: Experimental Crystal Structure Determination

description: Related Article: Daniel M. Wanner, Patrick M. Becker, Simon Suhr, Nick Wannenmacher, Slava Ziegler, Justin Herrmann, Felix Willig, Julia Gabler, Khushbu Jangid, Juliane Schmid, Andreas C. Hans, Wolfgang Frey, Biprajit Sarkar, Johannes Kästner, René Peters|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202307317
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.cc2cpyfg
title: CCDC 2195836: Experimental Crystal Structure Determination

description: Related Article: Daniel M. Wanner, Patrick M. Becker, Simon Suhr, Nick Wannenmacher, Slava Ziegler, Justin Herrmann, Felix Willig, Julia Gabler, Khushbu Jangid, Juliane Schmid, Andreas C. Hans, Wolfgang Frey, Biprajit Sarkar, Johannes Kästner, René Peters|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202307317
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.cc2cpyhj
title: CCDC 2195838: Experimental Crystal Structure Determination

description: Related Article: Daniel M. Wanner, Patrick M. Becker, Simon Suhr, Nick Wannenmacher, Slava Ziegler, Justin Herrmann, Felix Willig, Julia Gabler, Khushbu Jangid, Juliane Schmid, Andreas C. Hans, Wolfgang Frey, Biprajit Sarkar, Johannes Kästner, René Peters|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202307317
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.cc2bvpc8
title: CCDC 2170600: Experimental Crystal Structure Determination

description: Related Article: Krishna Kumar, Anil Kumar Vishwkarma, Rajesh Pratap, Somenath Garai, Amit Pathak, Rohit Sharma, Subrato Bhattacharya|2024|Chem.Papers|78|3721|doi:10.1007/s11696-024-03342-4
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.cc2bvpd9
title: CCDC 2170601: Experimental Crystal Structure Determination

description: Related Article: Krishna Kumar, Anil Kumar Vishwkarma, Rajesh Pratap, Somenath Garai, Amit Pathak, Rohit Sharma, Subrato Bhattacharya|2024|Chem.Papers|78|3721|doi:10.1007/s11696-024-03342-4
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.cc2b824v
title: CCDC 2152706: Experimental Crystal Structure Determination

description: Related Article: Sahin Reja, Kaushik Sarkar, Deboshmita Mukherjee, T.K.S. Fayaz, Pranesh Kumar, Purak Das, Palash Sanphui, Rajesh Kumar Das|2022|J.Mol.Struct.|1273|134377|doi:10.1016/j.molstruc.2022.134377
description: Related Article: Deboshmita Mukherjee, Kaushik Sarkar, Md. Bakibillah, Sahin Reja, Amlan Jyoti Ghosh, Tilak Saha, Palash Sanphui, Rajesh Kumar Das|2024|Appl.Organomet.Chem.|38|e7649|doi:10.1002/aoc.7649
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.cc2cpyz0
title: CCDC 2195853: Experimental Crystal Structure Determination

description: Related Article: Bing Liu|2022|CSD Communication|||
description: Related Article: Zhen-Zhen Ma, Yue-Shu Wang, Bing Liu, Huan Jiao, Ling Xu|2022|Chemosensors|10|416|doi:10.3390/chemosensors10100416
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.