cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.25505/fiz.icsd.cc2k3fvz
title: CSD 2356801: Experimental Crystal Structure Determination

description: Related Article: Jiale Chen, Haipeng Zhou, Huimin Sha, Jinfeng Liu, Xiu Zhu, Guisheng Xu, Jiankang Wang|2025|Dalton Trans.|54|5526|doi:10.1039/D5DT00054H
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.cc2k4yb0
title: CCDC 2358242: Experimental Crystal Structure Determination

description: Related Article: Tsung-Te Liao, Muhammad Usman, Yu-Hui Ye, Kedar Bahadur Thapa, Jhy-Der Chen|2025|Inorg.Chim.Acta|574|122368|doi:10.1016/j.ica.2024.122368
description: Related Article: Tsung-Te Liao, Muhammad Usman, Yu-Hui Ye, Kedar Bahadur Thapa, Jhy-Der Chen|2025|Inorg.Chim.Acta|574|122368|doi:10.1016/j.ica.2024.122368
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.cc2k4yc1
title: CCDC 2358243: Experimental Crystal Structure Determination

description: Related Article: Tsung-Te Liao, Muhammad Usman, Yu-Hui Ye, Kedar Bahadur Thapa, Jhy-Der Chen|2025|Inorg.Chim.Acta|574|122368|doi:10.1016/j.ica.2024.122368
description: Related Article: Tsung-Te Liao, Muhammad Usman, Yu-Hui Ye, Kedar Bahadur Thapa, Jhy-Der Chen|2025|Inorg.Chim.Acta|574|122368|doi:10.1016/j.ica.2024.122368
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.cc2k4yd2
title: CCDC 2358244: Experimental Crystal Structure Determination

description: Related Article: Tsung-Te Liao, Muhammad Usman, Yu-Hui Ye, Kedar Bahadur Thapa, Jhy-Der Chen|2025|Inorg.Chim.Acta|574|122368|doi:10.1016/j.ica.2024.122368
description: Related Article: Tsung-Te Liao, Muhammad Usman, Yu-Hui Ye, Kedar Bahadur Thapa, Jhy-Der Chen|2025|Inorg.Chim.Acta|574|122368|doi:10.1016/j.ica.2024.122368
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.cc2k4yf3
title: CCDC 2358245: Experimental Crystal Structure Determination

description: Related Article: Tsung-Te Liao, Muhammad Usman, Yu-Hui Ye, Kedar Bahadur Thapa, Jhy-Der Chen|2025|Inorg.Chim.Acta|574|122368|doi:10.1016/j.ica.2024.122368
description: Related Article: Tsung-Te Liao, Muhammad Usman, Yu-Hui Ye, Kedar Bahadur Thapa, Jhy-Der Chen|2025|Inorg.Chim.Acta|574|122368|doi:10.1016/j.ica.2024.122368
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.cc2h7dsy
title: CSD 2301030: Experimental Crystal Structure Determination

description: Related Article: Hui Li, Shuang Li, Yanhong Wang, Yaling Dou, Hongcheng Lu|2025|J.Solid State Chem.|341|125052|doi:10.1016/j.jssc.2024.125052
description: Related Article: Hui Li, Shuang Li, Yanhong Wang, Yaling Dou, Hongcheng Lu|2024|J.Solid State Chem.|341|125052|doi:10.1016/j.jssc.2024.125052
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.cc2k81gc
title: CCDC 2361222: Experimental Crystal Structure Determination

description: Related Article: Soheila Sanati, David B. Cordes, Alexandra M. Z. Slawin, Jinjie Qian, Reza Abazari|2024|Inorg.Chem.|64|510|doi:10.1021/acs.inorgchem.4c05162
description: Related Article: Soheila Sanati, David B. Cordes, Alexandra M.Z. Slawin, Jinjie Qian, Reza Abazari|2025|Inorg.Chem.|64|510|doi:10.1021/acs.inorgchem.4c05162
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.cc2kf87j
title: CSD 2366237: Experimental Crystal Structure Determination

description: Related Article: Jan Beitlberger, Mario Martin, Marcus Scheele, Patrick Schmidt, Markus Ströbele, H.-Jürgen Meyer|2025|Dalton Trans.|54|5486|doi:10.1039/D5DT00174A
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.cc2k94lm
title: CCDC 2362280: Experimental Crystal Structure Determination

description: Related Article: Hu Fang, Zuowei Sun, Min Xu, Weichao Xue, Zhen Qian, Zhifei Li, Chunchun Zhang, Qianhui Wu, Jiaqi Xu, Ruixiang Li, Haiyan Fu, Xueli Zheng, Hua Chen|2025|Ind.Eng.Chem.Res.|64|1488|doi:10.1021/acs.iecr.4c03886
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.cc2kbph3
title: CCDC 2363765: Experimental Crystal Structure Determination

description: Related Article: Fei Wang,  Cuilian Chen,  Zhirong Suo|2025|Z.Kristallogr.-New Cryst.Struct.|240|1|doi:10.1515/ncrs-2024-0255
description: Related Article: wang defa|2024|CSD Communication|||
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.cc2jzlkp
title: CSD 2353103: Experimental Crystal Structure Determination

description: Related Article: Navindra Keerthisinghe,  Gregory Morrison,  Logan S. Breton,  Mark D. Smith,  Qiang Zhang,  Melanie J. Kirkham,  Vladislav V. Klepov,  Hans-Conrad zur Loye|2025|Chem.Mater.|37|2014|doi:10.1021/acs.chemmater.4c03524
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.cc2kft3y
title: CCDC 2366760: Experimental Crystal Structure Determination

description: Related Article: Jinghao Ge, Yiru Huang, Xuexiao Chen, Yong Wang, Hanqing Zeng, Yiran Tao, Zixin Zeng, Lu Zhang, Lei Zhang, Xinhui Lu, Sai Wing Tsang, Jiaxue You, Alex K.Y. Jen, Shengzhong Frank Liu|2024|J.Am.Chem.Soc.|147|1980|doi:10.1021/jacs.4c14955
description: Related Article: Jinghao Ge, Yiru Huang, Xuexiao Chen, Yong Wang, Hanqing Zeng, Yiran Tao, Zixin Zeng, Lu Zhang, Lei Zhang, Xinhui Lu, Sai Wing Tsang, Jiaxue You, Alex K.Y. Jen, Shengzhong Frank Liu|2025|J.Am.Chem.Soc.|147|1980|doi:10.1021/jacs.4c14955
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.cc2kkgm7
title: CSD 2370279: Experimental Crystal Structure Determination

description: Related Article: R. R. Galiev, V. Y. Komarov, M. R. Ryzhikov, S. G. Kozlova, V. A. Kuznetsov, E. D. Grayfer, S. B. Artemkina, V. E. Fedorov|2025|Dalton Trans.|54|2147|doi:10.1039/D4DT02758B
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: 10.25505/fiz.icsd.cc2jzljn
title: CSD 2353102: Experimental Crystal Structure Determination

description: Related Article: Navindra Keerthisinghe,  Gregory Morrison,  Logan S. Breton,  Mark D. Smith,  Qiang Zhang,  Melanie J. Kirkham,  Vladislav V. Klepov,  Hans-Conrad zur Loye|2025|Chem.Mater.|37|2014|doi:10.1021/acs.chemmater.4c03524
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: 10.25505/fiz.icsd.cc2jzllq
title: CSD 2353104: Experimental Crystal Structure Determination

description: Related Article: Navindra Keerthisinghe,  Gregory Morrison,  Logan S. Breton,  Mark D. Smith,  Qiang Zhang,  Melanie J. Kirkham,  Vladislav V. Klepov,  Hans-Conrad zur Loye|2025|Chem.Mater.|37|2014|doi:10.1021/acs.chemmater.4c03524
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: 10.25505/fiz.icsd.cc2jzlmr
title: CSD 2353105: Experimental Crystal Structure Determination

description: Related Article: Navindra Keerthisinghe,  Gregory Morrison,  Logan S. Breton,  Mark D. Smith,  Qiang Zhang,  Melanie J. Kirkham,  Vladislav V. Klepov,  Hans-Conrad zur Loye|2025|Chem.Mater.|37|2014|doi:10.1021/acs.chemmater.4c03524
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: 10.25505/fiz.icsd.cc2kk2px
title: CSD 2369909: Experimental Crystal Structure Determination

description: Related Article: Navindra Keerthisinghe,  Gregory Morrison,  Logan S. Breton,  Mark D. Smith,  Qiang Zhang,  Melanie J. Kirkham,  Vladislav V. Klepov,  Hans-Conrad zur Loye|2025|Chem.Mater.|37|2014|doi:10.1021/acs.chemmater.4c03524
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: 10.25505/fiz.icsd.cc2kp9td
title: CSD 2373974: Experimental Crystal Structure Determination

description: Related Article: John Ponis, Nicholas Jerla, George Agbeworvi, Saul Perez-Beltran, Nitin Kumar, Kenna Ashen, Jialu Li, Edrick Wang, Michelle A. Smeaton, Fatme Jardali, Sarbajeet Chakraborty, Patrick J. Shamberger, Katherine L. Jungjohann, Conan Weiland, Cherno Jaye, Lu Ma, Daniel Fischer, Jinghua Guo, G. Sambandamurthy, Xiaofeng Qian, Sarbajit Banerjee|2024|J.Am.Chem.Soc.|146|34536|doi:10.1021/jacs.4c11968
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: 10.25505/fiz.icsd.cc2kq6yg
title: CSD 2374846: Experimental Crystal Structure Determination

description: Related Article: P. S. Serebrennikova, A. L. Kudryavtsev, N. G. Naumov, S. A. Gromilov|2024|J.Struct.Chem.|65|2429|doi:10.1134/s0022476624120072
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: 10.25505/fiz.icsd.cc2kqfd4
title: CSD 2375046: Experimental Crystal Structure Determination

description: Related Article: Alexey Subanakov, Evgeniy Kovtunets, Tatyana Spiridonova, Andrey Sobolev, Maxim Molokeev, Dmitry Sofich, Alexandr Bogdanov, Bair Bazarov|2025|Solid State Sciences|160|107821|doi:10.1016/j.solidstatesciences.2024.107821
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: 10.25505/fiz.icsd.cc2kqfg6
title: CSD 2375048: Experimental Crystal Structure Determination

description: Related Article: P. S. Serebrennikova, A. L. Kudryavtsev, N. G. Naumov, S. A. Gromilov|2024|J.Struct.Chem.|65|2429|doi:10.1134/s0022476624120072
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: 10.25505/fiz.icsd.cc2ktd0t
title: CSD 2377886: Experimental Crystal Structure Determination

description: Related Article: Andries van Hattem, Laurent de Geus, Ana Sacristán, Robert Dankelman, Sebastian Couweleers, Christoph Hennig, Jean-Christophe Griveau, Eric Colineau, Kathy Dardenne, Jörg Rothe, Tim Pruessmann, Rudy J. M. Konings, Anna L. Smith|2025|Inorg.Chem.|64|674|doi:10.1021/acs.inorgchem.4c03617
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: 10.25505/fiz.icsd.cc2ktd1v
title: CSD 2377887: Experimental Crystal Structure Determination

description: Related Article: Andries van Hattem, Laurent de Geus, Ana Sacristán, Robert Dankelman, Sebastian Couweleers, Christoph Hennig, Jean-Christophe Griveau, Eric Colineau, Kathy Dardenne, Jörg Rothe, Tim Pruessmann, Rudy J. M. Konings, Anna L. Smith|2025|Inorg.Chem.|64|674|doi:10.1021/acs.inorgchem.4c03617
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: 10.25505/fiz.icsd.cc2ktdwp
title: CSD 2377913: Experimental Crystal Structure Determination

description: Related Article: Eline H. Andersen, Johnny A. Sannes, Emil H. Frøen, Ola Nilsen, Martin Valldor|2025|J.Solid State Chem.|342|125105|doi:10.1016/j.jssc.2024.125105
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: 10.25505/fiz.icsd.cc2kvc2w
title: CSD 2378818: Experimental Crystal Structure Determination

description: Related Article: Karlie Bach, Eduard Garrido Ribó, Jacob S. Hirschi, Zhiwei Mao, Makenzie T. Nord, Lev N. Zakharov, Konstantinos A. Goulas, Tim J. Zuehlsdorff, May Nyman|2025|Chem.Mater.|37|48|doi:10.1021/acs.chemmater.4c01795
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.cc2kv7th
title: CCDC 2378717: Experimental Crystal Structure Determination

description: Related Article: Li Zhang, Xianji Qiao|2025|Inorg.Chim.Acta|576|122446|doi:10.1016/j.ica.2024.122446
description: Related Article: Li Zhang, Xianji Qiao|2024|Inorg.Chim.Acta|576|122446|doi:10.1016/j.ica.2024.122446
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.cc2kvc3x
title: CSD 2378819: Experimental Crystal Structure Determination

description: Related Article: Karlie Bach, Eduard Garrido Ribó, Jacob S. Hirschi, Zhiwei Mao, Makenzie T. Nord, Lev N. Zakharov, Konstantinos A. Goulas, Tim J. Zuehlsdorff, May Nyman|2025|Chem.Mater.|37|48|doi:10.1021/acs.chemmater.4c01795
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: 10.25505/fiz.icsd.cc2kw7g5
title: CSD 2379667: Experimental Crystal Structure Determination

description: Related Article: Rahul Kumar, Shrikant Bhat, Hyun-Joo Koo, Kiwan Nam, Seong-Hoon Kim, Kee Hoon Kim, Myung-Hwan Whangbo, A. Sundaresan|2025|Inorg.Chem.|64|3677|doi:10.1021/acs.inorgchem.4c04122
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.cc2kwwly
title: CCDC 2380291: Experimental Crystal Structure Determination

description: Related Article: Jun Wang, Yanli Li, Ruihong Yao, Bin Yang, Wangbo Qu, Jiao Lu, Zhou Wu, Yong Li, Zhihao Lu, Zhirong Geng, Zhilin Wang|2024|Inorg.Chem.|64|202|doi:10.1021/acs.inorgchem.4c04459
description: Related Article: Jun Wang, Yanli Li, Ruihong Yao, Bin Yang, Wangbo Qu, Jiao Lu, Zhou Wu, Yong Li, Zhihao Lu, Zhirong Geng, Zhilin Wang|2025|Inorg.Chem.|64|202|doi:10.1021/acs.inorgchem.4c04459
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.cc2kwwp1
title: CCDC 2380294: Experimental Crystal Structure Determination

description: Related Article: Jun Wang, Yanli Li, Ruihong Yao, Bin Yang, Wangbo Qu, Jiao Lu, Zhou Wu, Yong Li, Zhihao Lu, Zhirong Geng, Zhilin Wang|2024|Inorg.Chem.|64|202|doi:10.1021/acs.inorgchem.4c04459
description: Related Article: Jun Wang, Yanli Li, Ruihong Yao, Bin Yang, Wangbo Qu, Jiao Lu, Zhou Wu, Yong Li, Zhihao Lu, Zhirong Geng, Zhilin Wang|2025|Inorg.Chem.|64|202|doi:10.1021/acs.inorgchem.4c04459
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.