cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2kkhvh
title: CCDC 2370317: Experimental Crystal Structure Determination

description: Related Article: Iida Partanen, Chao-Hsien Hsu, Emily Hsue-Chi Shi, Iván Maisuls, Toni Eskelinen, Antti J. Karttunen, Jarkko Saarinen, Christian A. Strassert, Andrey Belyaev, Pi-Tai Chou, Igor O. Koshevoy|2025|Angew.Chem.,Int.Ed.|64|e202503327|doi:10.1002/anie.202503327
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.cc2kkhwj
title: CCDC 2370318: Experimental Crystal Structure Determination

description: Related Article: Iida Partanen, Chao-Hsien Hsu, Emily Hsue-Chi Shi, Iván Maisuls, Toni Eskelinen, Antti J. Karttunen, Jarkko Saarinen, Christian A. Strassert, Andrey Belyaev, Pi-Tai Chou, Igor O. Koshevoy|2025|Angew.Chem.,Int.Ed.|64|e202503327|doi:10.1002/anie.202503327
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.cn275m
title: Occurrence Download

description: A dataset listing the 4 species recorded in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Specimen",
 "TaxonKey is Allium jesdianum"
 ]
}

 The dataset's 4 records were derived from 16 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000544-251025141854904/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.cc2kkhxk
title: CCDC 2370319: Experimental Crystal Structure Determination

description: Related Article: Iida Partanen, Chao-Hsien Hsu, Emily Hsue-Chi Shi, Iván Maisuls, Toni Eskelinen, Antti J. Karttunen, Jarkko Saarinen, Christian A. Strassert, Andrey Belyaev, Pi-Tai Chou, Igor O. Koshevoy|2025|Angew.Chem.,Int.Ed.|64|e202503327|doi:10.1002/anie.202503327
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.cc2kkhyl
title: CCDC 2370320: Experimental Crystal Structure Determination

description: Related Article: Iida Partanen, Chao-Hsien Hsu, Emily Hsue-Chi Shi, Iván Maisuls, Toni Eskelinen, Antti J. Karttunen, Jarkko Saarinen, Christian A. Strassert, Andrey Belyaev, Pi-Tai Chou, Igor O. Koshevoy|2025|Angew.Chem.,Int.Ed.|64|e202503327|doi:10.1002/anie.202503327
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.cc2kkhzm
title: CCDC 2370321: Experimental Crystal Structure Determination

description: Related Article: Iida Partanen, Chao-Hsien Hsu, Emily Hsue-Chi Shi, Iván Maisuls, Toni Eskelinen, Antti J. Karttunen, Jarkko Saarinen, Christian A. Strassert, Andrey Belyaev, Pi-Tai Chou, Igor O. Koshevoy|2025|Angew.Chem.,Int.Ed.|64|e202503327|doi:10.1002/anie.202503327
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.cc2kkj0p
title: CCDC 2370322: Experimental Crystal Structure Determination

description: Related Article: Iida Partanen, Chao-Hsien Hsu, Emily Hsue-Chi Shi, Iván Maisuls, Toni Eskelinen, Antti J. Karttunen, Jarkko Saarinen, Christian A. Strassert, Andrey Belyaev, Pi-Tai Chou, Igor O. Koshevoy|2025|Angew.Chem.,Int.Ed.|64|e202503327|doi:10.1002/anie.202503327
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.cc2k7tg3
title: CCDC 2361005: Experimental Crystal Structure Determination

description: Related Article: Syed S. Razi, Marta Marin-Luna, Mateo Alajarin, Alberto Martinez-Cuezva, Jose Berna
|2025|Communications Chemistry|7|170|doi:10.1038/S42004-024-01258-4
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.cc2kkj3s
title: CCDC 2370325: Experimental Crystal Structure Determination

description: Related Article: Iida Partanen, Chao-Hsien Hsu, Emily Hsue-Chi Shi, Iván Maisuls, Toni Eskelinen, Antti J. Karttunen, Jarkko Saarinen, Christian A. Strassert, Andrey Belyaev, Pi-Tai Chou, Igor O. Koshevoy|2025|Angew.Chem.,Int.Ed.|64|e202503327|doi:10.1002/anie.202503327
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.cc2jk69m
title: CCDC 2340230: Experimental Crystal Structure Determination

description: Related Article: Shengxu Li|2024|CSD Communication|||
description: Related Article: Shengxu Li, Shunqi Xu, En Lin, Tonghai Wang, Haoyong Yang, Junyi Han, Yuxiang Zhao, Qunji Xue, Paolo Samorì, Zhenjie Zhang, Tao Zhang |2025|Nature Chemistry|17|226|doi:10.1038/s41557-024-01690-y
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.cc2kkjb0
title: CCDC 2370332: Experimental Crystal Structure Determination

description: Related Article: Huai-Song Wang, Jian Li, Jin-Yi Li, Kang Wang, Ya Ding, Xing-Hua Xia|2017|NPG Asia Mater.|9|e354|doi:10.1038/am.2017.7
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.cc2kkjd2
title: CCDC 2370334: Experimental Crystal Structure Determination

description: Related Article: Woo Seok Lee, Peter Müller, Nicholas Samulewicz, Tejas Deshpande, Ruomeng Wan, William A. Tisdale|2024|Chem.Mater.|36|9904|doi:10.1021/acs.chemmater.4c02096
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.cc2kkjf3
title: CCDC 2370335: Experimental Crystal Structure Determination

description: Related Article: Woo Seok Lee, Peter Müller, Nicholas Samulewicz, Tejas Deshpande, Ruomeng Wan, William A. Tisdale|2024|Chem.Mater.|36|9904|doi:10.1021/acs.chemmater.4c02096
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.cc2kkjg4
title: CCDC 2370336: Experimental Crystal Structure Determination

description: Related Article: Woo Seok Lee, Peter Müller, Nicholas Samulewicz, Tejas Deshpande, Ruomeng Wan, William A. Tisdale|2024|Chem.Mater.|36|9904|doi:10.1021/acs.chemmater.4c02096
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.cc2kkjpc
title: CCDC 2370343: Experimental Crystal Structure Determination

description: Related Article: Xuan Di,  Sitian Zhou,  Yali Qin,  Wenjun Li,  Yue Zhang,  Jie Zhang,  Xu Shen,  Jie Han,  Jin Xie,  Hongming Jin|2025|Nat.Commun.|16|1025|doi:10.1038/s41467-025-56184-3
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.cc2kkjqd
title: CCDC 2370344: Experimental Crystal Structure Determination

description: Related Article: Renan B.G. Caetano, Pedro H.O. Santiago, Javier A. Ellena, Daniel A.S. Oliveira, Ataualpa A.C. Braga, Benedito S. Lima-Neto|2024|Mol.Catal.|569|114551|doi:10.1016/j.mcat.2024.114551
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.cc2kkjrf
title: CCDC 2370345: Experimental Crystal Structure Determination

description: Related Article: Renan B.G. Caetano, Pedro H.O. Santiago, Javier A. Ellena, Daniel A.S. Oliveira, Ataualpa A.C. Braga, Benedito S. Lima-Neto|2024|Mol.Catal.|569|114551|doi:10.1016/j.mcat.2024.114551
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.cc2kkjsg
title: CCDC 2370346: Experimental Crystal Structure Determination

description: Related Article: Renan B.G. Caetano, Pedro H.O. Santiago, Javier A. Ellena, Daniel A.S. Oliveira, Ataualpa A.C. Braga, Benedito S. Lima-Neto|2024|Mol.Catal.|569|114551|doi:10.1016/j.mcat.2024.114551
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.cc2kj8hw
title: CCDC 2369128: Experimental Crystal Structure Determination

description: Related Article: Marta Pawlak, Joanna Drzeżdżon, Katarzyna N. Jarzembska, Radosław Kamiński, Kacper Pobłocki, Janusz Datta, Dagmara Jacewicz|2025|ChemPhysChem|26|e202401142|doi:10.1002/cphc.202401142
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.cc2kkjth
title: CCDC 2370347: Experimental Crystal Structure Determination

description: Related Article: Renan B.G. Caetano, Pedro H.O. Santiago, Javier A. Ellena, Daniel A.S. Oliveira, Ataualpa A.C. Braga, Benedito S. Lima-Neto|2024|Mol.Catal.|569|114551|doi:10.1016/j.mcat.2024.114551
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.cc2kkjvj
title: CCDC 2370348: Experimental Crystal Structure Determination

description: Related Article: Renan B.G. Caetano, Pedro H.O. Santiago, Javier A. Ellena, Daniel A.S. Oliveira, Ataualpa A.C. Braga, Benedito S. Lima-Neto|2024|Mol.Catal.|569|114551|doi:10.1016/j.mcat.2024.114551
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.cc2kkkb1
title: CCDC 2370363: Experimental Crystal Structure Determination

description: Related Article: Jieqiong Xu|2024|CSD Communication|||
description: Related Article: Jieqiong Xu, Tao Wang, Shengyong Deng, Weiming Lai, Yadong Shi, Yanyu Zhao, Feihe Huang, Peifa Wei|2024|Angew.Chem.,Int.Ed.|63|e202411880|doi:10.1002/anie.202411880
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.cc2kkkc2
title: CCDC 2370364: Experimental Crystal Structure Determination

description: Related Article: Shuli Gao, Xueyue Zhang, Pengze Yan, Jinling Miao, Guangning Liu, Xuchuan Jiang, Yong Nie, Meng Li|2025|Z.Naturforsch.,B:Chem.Sci.|80|191|doi:10.1515/znb-2025-0004
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.cc2kkkk8
title: CCDC 2370370: Experimental Crystal Structure Determination

description: Related Article: Yazhou Ding, Wen Jin, Jianying Zhang, Chunming Cui|2024|J.Am.Chem.Soc.|146|27925|doi:10.1021/jacs.4c10961
description: Related Article: Yazhou Ding, Wen Jin, Jianying Zhang, Chunming Cui|2024|J.Am.Chem.Soc.|146|27925|doi:10.1021/jacs.4c10961
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.cc2kkkl9
title: CCDC 2370371: Experimental Crystal Structure Determination

description: Related Article: Yazhou Ding, Wen Jin, Jianying Zhang, Chunming Cui|2024|J.Am.Chem.Soc.|146|27925|doi:10.1021/jacs.4c10961
description: Related Article: Yazhou Ding, Wen Jin, Jianying Zhang, Chunming Cui|2024|J.Am.Chem.Soc.|146|27925|doi:10.1021/jacs.4c10961
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.cc2kkl2t
title: CCDC 2370386: Experimental Crystal Structure Determination

description: Related Article: Meixin Wang, Yizhi Zhang, Shanshan Liu, Xiao Shen|2025|Chin.Chem.Lett.|36|110758|doi:10.1016/j.cclet.2024.110758
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.cc2kkl7z
title: CCDC 2370391: Experimental Crystal Structure Determination

description: Related Article: Tianhong Luo, Ganghua Zhang, Jinrong Wen, Zhanqiang Liu, Jingshan Hou, Dezeng Li, Yongzheng Fang|2024|Inorg.Chem.|63|18296|doi:10.1021/acs.inorgchem.4c03163
description: Related Article: Tianhong Luo, Ganghua Zhang, Jinrong Wen, Zhanqiang Liu, Jingshan Hou, Dezeng Li, Yongzheng Fang|2024|Inorg.Chem.|63|18296|doi:10.1021/acs.inorgchem.4c03163
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.cc2kkl80
title: CCDC 2370392: Experimental Crystal Structure Determination

description: Related Article: Tianhong Luo, Ganghua Zhang, Jinrong Wen, Zhanqiang Liu, Jingshan Hou, Dezeng Li, Yongzheng Fang|2024|Inorg.Chem.|63|18296|doi:10.1021/acs.inorgchem.4c03163
description: Related Article: Tianhong Luo, Ganghua Zhang, Jinrong Wen, Zhanqiang Liu, Jingshan Hou, Dezeng Li, Yongzheng Fang|2024|Inorg.Chem.|63|18296|doi:10.1021/acs.inorgchem.4c03163
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.cc2kkl91
title: CCDC 2370393: Experimental Crystal Structure Determination

description: Related Article: Tianhong Luo, Ganghua Zhang, Jinrong Wen, Zhanqiang Liu, Jingshan Hou, Dezeng Li, Yongzheng Fang|2024|Inorg.Chem.|63|18296|doi:10.1021/acs.inorgchem.4c03163
description: Related Article: Tianhong Luo, Ganghua Zhang, Jinrong Wen, Zhanqiang Liu, Jingshan Hou, Dezeng Li, Yongzheng Fang|2024|Inorg.Chem.|63|18296|doi:10.1021/acs.inorgchem.4c03163
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.cc2kkld4
title: CCDC 2370396: Experimental Crystal Structure Determination

description: Related Article: Bin Lv, Jean-François Soulé|2024|J.Org.Chem.|89|16028|doi:10.1021/acs.joc.4c01912
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.cc2f3w1h
title: CCDC 2238046: Experimental Crystal Structure Determination

description: Related Article: Ryota Inoue, Ryo Sumitani, Hisashi Honda, Daisuke Kuwahara, Zi Lang Goo, Kunihisa Sugimoto, Tomoyuki Mochida|2024|Inorg.Chem.|63|14770|doi:10.1021/acs.inorgchem.4c02523
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.cc2kklyp
title: CCDC 2370413: Experimental Crystal Structure Determination

description: Related Article: Ruslan I. Vaskevych,  Alla I. Vaskevych,  Nataliia O. Savinchuk,  Maryna V. Stasevych,  Svitlana V. Shiskina,  Mykhailo V. Vovk|2024|Chemistry of Heterocyclic Compounds|60|505|doi:10.1007/s10593-024-03368-2
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.cc2kkm3w
title: CCDC 2370418: Experimental Crystal Structure Determination

description: Related Article: Xiao‐Wen Sun, Yu Li, Mengxue Lu, Wei Zhao, Hongwei Ma, Xiao‐Juan Yang, Biao Wu|2024|Angew.Chem.,Int.Ed.|63|e202421472|doi:10.1002/anie.202421472
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.cc2kkm6z
title: CCDC 2370421: Experimental Crystal Structure Determination

description: Related Article: A. K. Matiukhinaa, E. N. Zorina-Tikhonovaa, N. V. Gogolevaa, L. D. Popovb, P. G. Morozovb, V. A. Lazarenkoc, A. A. Zubenkod, L. N. Fetisovd, A. E. Svyatogorovad, M. A. Kiskina, I. L. Eremenkoa|2025|Russ.J.Coord.Chem.|51|328|doi:10.1134/S1070328425600275
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.