cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2hnllc
title: CCDC 2313703: Experimental Crystal Structure Determination

description: Related Article: Weiyang Wen,  Yanqi Wang,  Tianyu Pan,  Qianqian Hu,  Huiping Xiao,  Nannan Wang,  Xiaoqi Li,  Xinxiong Li,  Bing Hu,  Xiaoying Huang|2024|Molecules|29|591|doi:10.3390/molecules29030591
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.cc2hnlmd
title: CCDC 2313704: Experimental Crystal Structure Determination

description: Related Article: Weiyang Wen,  Yanqi Wang,  Tianyu Pan,  Qianqian Hu,  Huiping Xiao,  Nannan Wang,  Xiaoqi Li,  Xinxiong Li,  Bing Hu,  Xiaoying Huang|2024|Molecules|29|591|doi:10.3390/molecules29030591
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.cc2hnlnf
title: CCDC 2313705: Experimental Crystal Structure Determination

description: Related Article: Guozhen Zhang, Fuhai Chen, Yiming Di, Siqi Yuan, Yang Zhang, Xin Quan, Yong Chen, Hongming Chen, Meijin Lin
|2024|Adv.Funct.Mater.|34|2404123|doi:10.1002/adfm.202404123
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.cc2hnlpg
title: CCDC 2313706: Experimental Crystal Structure Determination

description: Related Article: Weiyang Wen,  Yanqi Wang,  Tianyu Pan,  Qianqian Hu,  Huiping Xiao,  Nannan Wang,  Xiaoqi Li,  Xinxiong Li,  Bing Hu,  Xiaoying Huang|2024|Molecules|29|591|doi:10.3390/molecules29030591
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.cc2hnlrj
title: CCDC 2313708: Experimental Crystal Structure Determination

description: Related Article: Weiyang Wen,  Yanqi Wang,  Tianyu Pan,  Qianqian Hu,  Huiping Xiao,  Nannan Wang,  Xiaoqi Li,  Xinxiong Li,  Bing Hu,  Xiaoying Huang|2024|Molecules|29|591|doi:10.3390/molecules29030591
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.cc2hnlsk
title: CCDC 2313709: Experimental Crystal Structure Determination

description: Related Article: Bowen Li, Zhiling Wang, Yicong Luo, Hanlin Wei, Jianzhong Chen, Delong Liu, Wanbin Zhang |2024|Nat.Commun.|15|5482|doi:10.1038/s41467-024-49801-0
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.cc2hnltl
title: CCDC 2313710: Experimental Crystal Structure Determination

description: Related Article: P. K. Hashim, Saugata Sahu, Kiyonori Takahashi, Shakkeeb Thazhathethil, Takayoshi Nakamura, Nobuyuki Tamaoki|2024|Chem.-Eur.J.|30|e202400047|doi:10.1002/chem.202400047
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.cc2hnlvm
title: CCDC 2313711: Experimental Crystal Structure Determination

description: Related Article: P. K. Hashim, Saugata Sahu, Kiyonori Takahashi, Shakkeeb Thazhathethil, Takayoshi Nakamura, Nobuyuki Tamaoki|2024|Chem.-Eur.J.|30|e202400047|doi:10.1002/chem.202400047
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.cc2hnlwn
title: CCDC 2313712: Experimental Crystal Structure Determination

description: Related Article: P. K. Hashim, Saugata Sahu, Kiyonori Takahashi, Shakkeeb Thazhathethil, Takayoshi Nakamura, Nobuyuki Tamaoki|2024|Chem.-Eur.J.|30|e202400047|doi:10.1002/chem.202400047
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.cc2hnlxp
title: CCDC 2313713: Experimental Crystal Structure Determination

description: Related Article: P. K. Hashim, Saugata Sahu, Kiyonori Takahashi, Shakkeeb Thazhathethil, Takayoshi Nakamura, Nobuyuki Tamaoki|2024|Chem.-Eur.J.|30|e202400047|doi:10.1002/chem.202400047
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.cc2hnp84
title: CCDC 2313786: Experimental Crystal Structure Determination

description: Related Article: Qingsong Wei, Jingyan Liu, Liang Wu, Fuhai Chen, Yuanji Ye, Shuquan Zhang, Yanan Zhu, Yong Chen, Minghua You, Qing Liao, Meijin Lin, Hongming Chen|2024|Small|20|2405932|doi:10.1002/smll.202405932
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.cc2hnq30
title: CCDC 2313812: Experimental Crystal Structure Determination

description: Related Article: David Curiel, Manuel Carrera, Ion Such-Basáñez, Juan Pablo Marco-Lozar, Agustín Bueno-López, Eduardo Vilaplana-Ortego, Iván da Silva, Delia Bautista, Alberto Fernández-Alarcón, Joaquín Calbo, Enrique Ortí|2024|Angew.Chem.,Int.Ed.|63|e202412981|doi:10.1002/anie.202412981
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.cc2hnqjf
title: CCDC 2313825: Experimental Crystal Structure Determination

description: Related Article: Patrick Probst, Jonas Groos, Dongren Wang, Alexander Beck, Katrin Gugeler, Johannes Kästner, Wolfgang Frey, Michael R. Buchmeiser|2024|J.Am.Chem.Soc.|146|8435|doi:10.1021/jacs.3c14457
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.cc2hnqmj
title: CCDC 2313828: Experimental Crystal Structure Determination

description: Related Article: Danyang Zhang, Zhiqi Xiao, Nan Wang, An Huang, Jie Wen, Lingyi Kong, Jun Luo|2024|Bioorg.Chem.|146|107259|doi:10.1016/j.bioorg.2024.107259
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.cc2hnqlh
title: CCDC 2313827: Experimental Crystal Structure Determination

description: Related Article: Zhenpeng Shen, Yue Yu, Dong Wu, Zhisen Wei, Weiyu Kong, Yangyang Li, Guoyin Yin |2024|Nat.Commun.|15|10167|doi:10.1038/s41467-024-54016-4
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.cc2hnqnk
title: CCDC 2313829: Experimental Crystal Structure Determination

description: Related Article: Anna Y. Zueva, Alexey N. Bilyachenko, Ivan S. Arteev, Victor N. Khrustalev, Pavel V. Dorovatovskii, Lidia S. Shul'pina, Nikolay S. Ikonnikov, Evgenii I. Gutsul, Karim G. Rahimov, Elena S. Shubina, Nuno Reis Conceição, Kamran T. Mahmudov, M. Fátima C. Guedes da Silva, Armando J. L. Pombeiro|2024|Chem.-Eur.J.|30|e202401164|doi:10.1002/chem.202401164
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.cc2hnqpl
title: CCDC 2313830: Experimental Crystal Structure Determination

description: Related Article: Anna Y. Zueva, Alexey N. Bilyachenko, Ivan S. Arteev, Victor N. Khrustalev, Pavel V. Dorovatovskii, Lidia S. Shul'pina, Nikolay S. Ikonnikov, Evgenii I. Gutsul, Karim G. Rahimov, Elena S. Shubina, Nuno Reis Conceição, Kamran T. Mahmudov, M. Fátima C. Guedes da Silva, Armando J. L. Pombeiro|2024|Chem.-Eur.J.|30|e202401164|doi:10.1002/chem.202401164
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.cc2hnqqm
title: CCDC 2313831: Experimental Crystal Structure Determination

description: Related Article: Anna Y. Zueva, Alexey N. Bilyachenko, Ivan S. Arteev, Victor N. Khrustalev, Pavel V. Dorovatovskii, Lidia S. Shul'pina, Nikolay S. Ikonnikov, Evgenii I. Gutsul, Karim G. Rahimov, Elena S. Shubina, Nuno Reis Conceição, Kamran T. Mahmudov, M. Fátima C. Guedes da Silva, Armando J. L. Pombeiro|2024|Chem.-Eur.J.|30|e202401164|doi:10.1002/chem.202401164
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.cc2hnqrn
title: CCDC 2313832: Experimental Crystal Structure Determination

description: Related Article: Anna Y. Zueva, Alexey N. Bilyachenko, Ivan S. Arteev, Victor N. Khrustalev, Pavel V. Dorovatovskii, Lidia S. Shul'pina, Nikolay S. Ikonnikov, Evgenii I. Gutsul, Karim G. Rahimov, Elena S. Shubina, Nuno Reis Conceição, Kamran T. Mahmudov, M. Fátima C. Guedes da Silva, Armando J. L. Pombeiro|2024|Chem.-Eur.J.|30|e202401164|doi:10.1002/chem.202401164
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.cc2hnqsp
title: CCDC 2313833: Experimental Crystal Structure Determination

description: Related Article: Anna Y. Zueva, Alexey N. Bilyachenko, Ivan S. Arteev, Victor N. Khrustalev, Pavel V. Dorovatovskii, Lidia S. Shul'pina, Nikolay S. Ikonnikov, Evgenii I. Gutsul, Karim G. Rahimov, Elena S. Shubina, Nuno Reis Conceição, Kamran T. Mahmudov, M. Fátima C. Guedes da Silva, Armando J. L. Pombeiro|2024|Chem.-Eur.J.|30|e202401164|doi:10.1002/chem.202401164
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.cc2hnr1z
title: CCDC 2313841: Experimental Crystal Structure Determination

description: Related Article: Pamela S. Whitfield, Zouina Karkar, Yaser Abu-Lebdeh|2024|Powder Diffr.|39|1|doi:10.1017/S0885715624000010
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.cc2hnr20
title: CCDC 2313842: Experimental Crystal Structure Determination

description: Related Article: Pamela S. Whitfield, Zouina Karkar, Yaser Abu-Lebdeh|2024|Powder Diffr.|39|1|doi:10.1017/S0885715624000010
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.cc2hnr42
title: CCDC 2313844: Experimental Crystal Structure Determination

description: Related Article: Yueru Wang,  Xiaolin Dang,  Changhua Yang,  Wenqiang Tang,  Bin Liu|2024|Z.Kristallogr.-New Cryst.Struct.|239|437|doi:10.1515/ncrs-2024-0034
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.cc2hnrb8
title: CCDC 2313850: Experimental Crystal Structure Determination

description: Related Article: Yanli Song,  Mo Du,  Zhoujing Zhu,  Wenqiang Tang,  Hongjuan Tong|2024|Z.Kristallogr.-New Cryst.Struct.|239|491|doi:10.1515/ncrs-2024-0058
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.cc2hnrc9
title: CCDC 2313851: Experimental Crystal Structure Determination

description: Related Article: Mohammad Afsar Uddin, Raúl Martín, Sergio Gámez-Valenzuela, Marcelo Echeverri, M. Carmen Ruiz Delgado, Enrique Gutiérrez Puebla, Angeles Monge, Berta Gómez-Lor|2024|J.Am.Chem.Soc.|146|27690|doi:10.1021/jacs.4c09222
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: 10.25505/fiz.icsd.cc2hnrgd
title: CSD 2313854: Experimental Crystal Structure Determination

description: Related Article: Tianhong Chen, Dongpeng Yan |2024|Nat.Commun.|15|5281|doi:10.1038/s41467-024-49654-7
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2hnrzx
title: CCDC 2313870: Experimental Crystal Structure Determination

description: Related Article: Marina A. Katkova, Galina S. Zabrodina, Grigory Yu. Zhigulin, Roman V. Rumyantsev, Mikhail A. Kiskin, Irina G. Fomina, Olga B. Bekker, Sergey Yu. Ketkov, Igor L. Eremenko|2024|Inorg.Chim.Acta|565|121976|doi:10.1016/j.ica.2024.121976
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.cc2hns0z
title: CCDC 2313871: Experimental Crystal Structure Determination

description: Related Article: Zheng Niu,  Chun-Yan Chen,  Yan Zhou,  Guan-Ke Liu,  Bing-Yang Zhang,  Mahmood Brobbey Oppong,  De-Qin Zhang,  Tie Yao,  Feng Qiu|2024|J.Nat.Prod.|87|1754|doi:10.1021/acs.jnatprod.4c00269
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.cc2hns76
title: CCDC 2313878: Experimental Crystal Structure Determination

description: Related Article: Qiong-Yan Hong,  Bin Huang,  Meng-Xiang Wu,  Jun-Yao Jiang,  Hai-Bo Yang,  Xiao-Li Zhao,  Guido H. Clever,  Xueliang Shi|2025|Nat.Commun.|16|2484|doi:10.1038/s41467-025-57876-6
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.cc2hns87
title: CCDC 2313879: Experimental Crystal Structure Determination

description: Related Article: Paulami Chakraborty, Niva Ghosh, Nidhi Awasthi, Sankar Prasad Rath|2024|Chem.-Eur.J.|30|e202400266|doi:10.1002/chem.202400266
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.cc2hns98
title: CCDC 2313880: Experimental Crystal Structure Determination

description: Related Article: Paulami Chakraborty, Niva Ghosh, Nidhi Awasthi, Sankar Prasad Rath|2024|Chem.-Eur.J.|30|e202400266|doi:10.1002/chem.202400266
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.cc2hnsb9
title: CCDC 2313881: Experimental Crystal Structure Determination

description: Related Article: Paulami Chakraborty, Niva Ghosh, Nidhi Awasthi, Sankar Prasad Rath|2024|Chem.-Eur.J.|30|e202400266|doi:10.1002/chem.202400266
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.cc2hnsdc
title: CCDC 2313883: Experimental Crystal Structure Determination

description: Related Article: Haoqi Zhang, Yi Xiao, Miran Lemmerer, Tommaso Bortolato, Nuno Maulide|2024|JACS Au|4|2456|doi:10.1021/jacsau.4c00378
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.cc2hnshg
title: CCDC 2313886: Experimental Crystal Structure Determination

description: Related Article: Jesvita Cardozo, Ouchan He, Wanli Ma, Kallol Ray, Thomas Braun|2024|Z.Anorg.Allg.Chem.|650|e202400028|doi:10.1002/zaac.202400028
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.cc2hnsjh
title: CCDC 2313887: Experimental Crystal Structure Determination

description: Related Article: D. Lucas Kane, Bryan C. Figula, Kaluvu Balaraman, Jeffery A. Bertke, Christian Wolf|2025|J.Am.Chem.Soc.|147|5764|doi:10.1021/jacs.4c13956
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.