cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2lpn98
title: CCDC 2404090: Experimental Crystal Structure Determination

description: Related Article: Cheng-Jing Li, Meng-Yu Liu, Zhong-Lin Wei, Wei-Wei Liao|2024|J.Org.Chem.|89|18769|doi:10.1021/acs.joc.4c02606
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.cc2lpj94
title: CCDC 2403966: Experimental Crystal Structure Determination

description: Related Article: Xue-Qing Zhang, Xiao-Juan Lv, Luying Guo, Juan Ma, Bin Su, Yuefei Hu, Lijuan Jiao, Zhong-Yuan Li, Erhong Hao|2025|Nat.Commun.|16|2735|doi:10.1038/s41467-025-58117-6
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.cc2lpjys
title: CCDC 2403986: Experimental Crystal Structure Determination

description: Related Article: Guoshi Zhang, Ning Xu, Miao Yang, Wenjing Wang, Kongzhao Su, Daqiang Yuan|2025|Angew.Chem.,Int.Ed.|64|e202423226|doi:10.1002/anie.202423226
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.cc2lpk0w
title: CCDC 2403988: Experimental Crystal Structure Determination

description: Related Article: Guoshi Zhang, Ning Xu, Miao Yang, Wenjing Wang, Kongzhao Su, Daqiang Yuan|2025|Angew.Chem.,Int.Ed.|64|e202423226|doi:10.1002/anie.202423226
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.cc2lpk40
title: CCDC 2403992: Experimental Crystal Structure Determination

description: Related Article: Guangyong Xie|2024|CSD Communication|||
description: Related Article: Pingzhou Huang, Wanjun Tang, Mengyuan Xue, Ming Zhou, Wei Tu, Tingcheng Li, Guangyong Xie|2025|Appl.Organomet.Chem.|39|e7967|doi:10.1002/aoc.7967
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.cc2lpk51
title: CCDC 2403993: Experimental Crystal Structure Determination

description: Related Article: Jun-Qian Bian|2025|CSD Communication|||
description: Related Article: Jun-Qian Bian,  Li Qin,  Li-Wen Fan,  Jiajia Fu,  Yong-Feng Cheng,  Yu-Feng Zhang,  Qiao Song,  Peng-Fei Wang,  Zhong-Liang Li,  Qiang-Shuai Gu,  Peng Yu,  Jun-Bin Tang,  Xin-Yuan Liu|2025|Nat.Commun.|16|4922|doi:10.1038/s41467-025-60012-z
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.cc2lpkd8
title: CCDC 2404000: Experimental Crystal Structure Determination

description: Related Article: Muyuan Wang, Aarush Prasad, Nathaniel G. Garrison, Prabodh Rao, Hyeok-Kyu Kwon, Maxime A. Siegler, Thomas Lectka|2025|J.Am.Chem.Soc.|147|5577|doi:10.1021/jacs.4c17384
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.cc2km4p1
title: CCDC 2371893: Experimental Crystal Structure Determination

description: Related Article: Kaixin Guo, Jiachen Jiao, Lei Zhang, Hui Sun, Xiaoxiao Miao, Jie Li, Qiuxia Han|2024|Inorg.Chem.|64|58|doi:10.1021/acs.inorgchem.4c04145
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.cc2lpkf9
title: CCDC 2404001: Experimental Crystal Structure Determination

description: Related Article: Muyuan Wang, Aarush Prasad, Nathaniel G. Garrison, Prabodh Rao, Hyeok-Kyu Kwon, Maxime A. Siegler, Thomas Lectka|2025|J.Am.Chem.Soc.|147|5577|doi:10.1021/jacs.4c17384
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.cc2ktqjn
title: CCDC 2378212: Experimental Crystal Structure Determination

description: Related Article: Narayan Ch. Jana, Zvonko Jagličić, Paula Brandão, Anangamohan Panja|2024|ACS Omega|9|49953|doi:10.1021/acsomega.4c09254
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.cc2lpkkf
title: CCDC 2404005: Experimental Crystal Structure Determination

description: Related Article: Yuanyuan Zhang, Yaomei Fu, Gu Xiaoyan, Liang Zhao, Junning Kou, Chao Qin|2025|J.Mol.Struct.|1344|142978|doi:10.1016/j.molstruc.2025.142978
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.cc2lpklg
title: CCDC 2404006: Experimental Crystal Structure Determination

description: Related Article: Yuanyuan Zhang, Yaomei Fu, Gu Xiaoyan, Liang Zhao, Junning Kou, Chao Qin|2025|J.Mol.Struct.|1344|142978|doi:10.1016/j.molstruc.2025.142978
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.cc2lpkmh
title: CCDC 2404007: Experimental Crystal Structure Determination

description: Related Article: Yuanyuan Zhang, Yaomei Fu, Gu Xiaoyan, Liang Zhao, Junning Kou, Chao Qin|2025|J.Mol.Struct.|1344|142978|doi:10.1016/j.molstruc.2025.142978
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.cc2lpknj
title: CCDC 2404008: Experimental Crystal Structure Determination

description: Related Article: Yuanyuan Zhang, Yaomei Fu, Gu Xiaoyan, Liang Zhao, Junning Kou, Chao Qin|2025|J.Mol.Struct.|1344|142978|doi:10.1016/j.molstruc.2025.142978
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.cc2lpkpk
title: CCDC 2404009: Experimental Crystal Structure Determination

description: Related Article: Jakkula Naveen, Gedu Satyanarayana|2025|ChemCatChem|17|e202402076|doi:10.1002/cctc.202402076
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.cc2lpksn
title: CCDC 2404012: Experimental Crystal Structure Determination

description: Related Article: Anju Ragshaniya, Sonika Asija, Kashmiri Lal, Yogesh Deswal, Neeraj Mohan Gupta, Pinki Barwa, Shikha Poonia|2025|Inorg.Chem.Commun.|178|114543|doi:10.1016/j.inoche.2025.114543
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.cc2lpkvq
title: CCDC 2404014: Experimental Crystal Structure Determination

description: Related Article: You-Liang Shi, Dan Liu, Han-Han Lu, Xin-Feng Li, Meng-Jia Shang, Liang Zhao, Tao Liu, Yin-Shan Meng|2025|Inorg.Chem.Commun.|176|114197|doi:10.1016/j.inoche.2025.114197
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.cc2lpkwr
title: CCDC 2404015: Experimental Crystal Structure Determination

description: Related Article: Jia Hao Xie, Min Yu Han, Li Meng, Yong Zhao, Qiang Zeng, Nian Bing Li, Peng Xue, Hong Qun Luo|2025|Anal.Chem.|97|14531|doi:10.1021/acs.analchem.5c01883
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.cc2lpkxs
title: CCDC 2404016: Experimental Crystal Structure Determination

description: Related Article: Jia Hao Xie, Min Yu Han, Li Meng, Yong Zhao, Qiang Zeng, Nian Bing Li, Peng Xue, Hong Qun Luo|2025|Anal.Chem.|97|14531|doi:10.1021/acs.analchem.5c01883
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.cc2lpl30
title: CCDC 2404022: Experimental Crystal Structure Determination

description: Related Article: Jia Hao Xie, Min Yu Han, Li Meng, Yong Zhao, Qiang Zeng, Nian Bing Li, Peng Xue, Hong Qun Luo|2025|Anal.Chem.|97|14531|doi:10.1021/acs.analchem.5c01883
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.cc2lpl41
title: CCDC 2404023: Experimental Crystal Structure Determination

description: Related Article: Rin Seki, Haruka Kido, Kana Ko, Kaoru Imoto, Hiroki Miura, Tetsuya Shishido, Yoshiaki Nakao|2025|Angew.Chem.,Int.Ed.|64|e202505028|doi:10.1002/anie.202505028
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.cc2lpl74
title: CCDC 2404026: Experimental Crystal Structure Determination

description: Related Article: Zhaoyu Wang, Xin Qiu, Hebin Wang, Wenkai Zhao, Sehrish Gull, Haolin Lu, Zechen Hao, Xin Zeng, Xinfeng Liu, Bin Sun, Hao-Li Zhang, Yongsheng Chen, Tingchao He, Guankui Long|2024|Angew.Chem.,Int.Ed.|64|e202420249|doi:10.1002/anie.202420249
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.cc2lpl85
title: CCDC 2404027: Experimental Crystal Structure Determination

description: Related Article: Zhi-Juan He, Ma-Haoran Hong, Ling-Hui Zhang, Wen-Hui Xiong, Fu-Min Zhang|2025|J.Am.Chem.Soc.|147|31639|doi:10.1021/jacs.5c07358
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.cc2lpnxw
title: CCDC 2404109: Experimental Crystal Structure Determination

description: Related Article: Song Pan, Chong Chen, Qing-Wen Liang, Ai-Quan Jia, Qian-Feng Zhang|2025|J.Organomet.Chem.|1025|123481|doi:10.1016/j.jorganchem.2024.123481
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.cc2lplc8
title: CCDC 2404030: Experimental Crystal Structure Determination

description: Related Article: Bi Youan E. Tra, Yujie Zhao, Andrew Molino, Yifu Ouyang, Chun-Lin Deng, Colleen McAloon, Noah D. McMillion, Heechan Kim, Chonghe Zhang, Peter Müller, Robert G. Griffin, Robert J. Gilliard, Jr.|2025|J.Am.Chem.Soc.|147|18431|doi:10.1021/jacs.5c04487
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.cc2lpld9
title: CCDC 2404031: Experimental Crystal Structure Determination

description: Related Article: Bi Youan E. Tra, Yujie Zhao, Andrew Molino, Yifu Ouyang, Chun-Lin Deng, Colleen McAloon, Noah D. McMillion, Heechan Kim, Chonghe Zhang, Peter Müller, Robert G. Griffin, Robert J. Gilliard, Jr.|2025|J.Am.Chem.Soc.|147|18431|doi:10.1021/jacs.5c04487
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.cc2lplfb
title: CCDC 2404032: Experimental Crystal Structure Determination

description: Related Article: Bi Youan E. Tra, Yujie Zhao, Andrew Molino, Yifu Ouyang, Chun-Lin Deng, Colleen McAloon, Noah D. McMillion, Heechan Kim, Chonghe Zhang, Peter Müller, Robert G. Griffin, Robert J. Gilliard, Jr.|2025|J.Am.Chem.Soc.|147|18431|doi:10.1021/jacs.5c04487
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.cc2lplgc
title: CCDC 2404033: Experimental Crystal Structure Determination

description: Related Article: Bi Youan E. Tra, Yujie Zhao, Andrew Molino, Yifu Ouyang, Chun-Lin Deng, Colleen McAloon, Noah D. McMillion, Heechan Kim, Chonghe Zhang, Peter Müller, Robert G. Griffin, Robert J. Gilliard, Jr.|2025|J.Am.Chem.Soc.|147|18431|doi:10.1021/jacs.5c04487
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.cc2lpltq
title: CCDC 2404044: Experimental Crystal Structure Determination

description: Related Article: Dijo Prasannan, Victor N. Nemykin|2025|Inorg.Chem.|64|2468|doi:10.1021/acs.inorgchem.4c04972
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.cc2lplxt
title: CCDC 2404047: Experimental Crystal Structure Determination

description: Related Article: Gareth P. Howell, Lauren R. Agnew, Christoph Bauer, Fiona J. Bell, Andrew D. Campbell, Kuangchu Dai, David Dave, Sam R. Ellis, Matthew J. Foulkes, Malcolm A. Y. Gall, Kilian Garrec, Huajun Ge, Barry R. Hayter, Martin F. Jones, George Karageorgis, Mairi Littleson, Thomas W. Lloyd-Hughes, Harriet C. McNicholl, David T. Mooney, Bethany J. Moore, Rachel H. Munday, Emily Noone, David Perkins, Lyn Powell, Okky Dwichandra Putra, Simone Tomasi, Miriam Turner, Hongxu Wang, Hucheng Zhao, Oliver T. Ring|2025|Org.Process Res.Dev.|29|804|doi:10.1021/acs.oprd.4c00524
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.cc2lplyv
title: CCDC 2404048: Experimental Crystal Structure Determination

description: Related Article: Gareth P. Howell, Lauren R. Agnew, Christoph Bauer, Fiona J. Bell, Andrew D. Campbell, Kuangchu Dai, David Dave, Sam R. Ellis, Matthew J. Foulkes, Malcolm A. Y. Gall, Kilian Garrec, Huajun Ge, Barry R. Hayter, Martin F. Jones, George Karageorgis, Mairi Littleson, Thomas W. Lloyd-Hughes, Harriet C. McNicholl, David T. Mooney, Bethany J. Moore, Rachel H. Munday, Emily Noone, David Perkins, Lyn Powell, Okky Dwichandra Putra, Simone Tomasi, Miriam Turner, Hongxu Wang, Hucheng Zhao, Oliver T. Ring|2025|Org.Process Res.Dev.|29|804|doi:10.1021/acs.oprd.4c00524
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.cc2lplzw
title: CCDC 2404049: Experimental Crystal Structure Determination

description: Related Article: Zhi-Cui Zhang, Yan-Ping Jiao, Dan-Dan Lu, Ai-Quan Jia, Qian-Feng Zhang|2025|Z.Naturforsch.,B:Chem.Sci.|80|129|doi:10.1515/znb-2024-0109
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.cc2lpm0y
title: CCDC 2404050: Experimental Crystal Structure Determination

description: Related Article: Zhi-Cui Zhang, Yan-Ping Jiao, Dan-Dan Lu, Ai-Quan Jia, Qian-Feng Zhang|2025|Z.Naturforsch.,B:Chem.Sci.|80|129|doi:10.1515/znb-2024-0109
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.cc2lpm1z
title: CCDC 2404051: Experimental Crystal Structure Determination

description: Related Article: Gareth P. Howell, Lauren R. Agnew, Christoph Bauer, Fiona J. Bell, Andrew D. Campbell, Kuangchu Dai, David Dave, Sam R. Ellis, Matthew J. Foulkes, Malcolm A. Y. Gall, Kilian Garrec, Huajun Ge, Barry R. Hayter, Martin F. Jones, George Karageorgis, Mairi Littleson, Thomas W. Lloyd-Hughes, Harriet C. McNicholl, David T. Mooney, Bethany J. Moore, Rachel H. Munday, Emily Noone, David Perkins, Lyn Powell, Okky Dwichandra Putra, Simone Tomasi, Miriam Turner, Hongxu Wang, Hucheng Zhao, Oliver T. Ring|2025|Org.Process Res.Dev.|29|804|doi:10.1021/acs.oprd.4c00524
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.