cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2hxtfp
title: CCDC 2321603: Experimental Crystal Structure Determination

description: Related Article: Subhash Bairagi, Debipada Chatterjee, Soumen Giri, Sundargopal Ghosh|2025|Chem.Commun.|61|3696|doi:10.1039/D4CC06535B
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.cc2j68hj
title: CCDC 2329727: Experimental Crystal Structure Determination

description: Related Article: Qiping He, Wenxin Yan, Xianglin Yu, Xinxiang Huang, Chang Liu, Yinchun Jiao, Yi Jin|2025|Org.Chem.Front.|12|1521|doi:10.1039/D4QO02146K
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.cc2j68jk
title: CCDC 2329728: Experimental Crystal Structure Determination

description: Related Article: Qiping He, Wenxin Yan, Xianglin Yu, Xinxiang Huang, Chang Liu, Yinchun Jiao, Yi Jin|2025|Org.Chem.Front.|12|1521|doi:10.1039/D4QO02146K
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.cc2j68kl
title: CCDC 2329729: Experimental Crystal Structure Determination

description: Related Article: Qiping He, Wenxin Yan, Xianglin Yu, Xinxiang Huang, Chang Liu, Yinchun Jiao, Yi Jin|2025|Org.Chem.Front.|12|1521|doi:10.1039/D4QO02146K
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.cc2jbhky
title: CCDC 2333790: Experimental Crystal Structure Determination

description: Related Article: Dániel Buzsáki, Dalma Gál, Balázs Szathmári, Tamás Holczbauer, Antal Udvardy, Júlia Kertész Szilágyiné, Denis Kargin, Clemens Bruhn, Rudolf Pietschnig, Zsolt Kelemen|2024|Inorg.Chem.Front.|12|1822|doi:10.1039/D4QI02566K
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.cc2jbhlz
title: CCDC 2333791: Experimental Crystal Structure Determination

description: Related Article: Dániel Buzsáki, Dalma Gál, Balázs Szathmári, Tamás Holczbauer, Antal Udvardy, Júlia Kertész Szilágyiné, Denis Kargin, Clemens Bruhn, Rudolf Pietschnig, Zsolt Kelemen|2024|Inorg.Chem.Front.|12|1822|doi:10.1039/D4QI02566K
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.cc2jbhm0
title: CCDC 2333792: Experimental Crystal Structure Determination

description: Related Article: Dániel Buzsáki, Dalma Gál, Balázs Szathmári, Tamás Holczbauer, Antal Udvardy, Júlia Kertész Szilágyiné, Denis Kargin, Clemens Bruhn, Rudolf Pietschnig, Zsolt Kelemen|2024|Inorg.Chem.Front.|12|1822|doi:10.1039/D4QI02566K
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.cc2jbhn1
title: CCDC 2333793: Experimental Crystal Structure Determination

description: Related Article: Dániel Buzsáki, Dalma Gál, Balázs Szathmári, Tamás Holczbauer, Antal Udvardy, Júlia Kertész Szilágyiné, Denis Kargin, Clemens Bruhn, Rudolf Pietschnig, Zsolt Kelemen|2024|Inorg.Chem.Front.|12|1822|doi:10.1039/D4QI02566K
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.cc2jqpgf
title: CCDC 2345505: Experimental Crystal Structure Determination

description: Related Article: Jyotirmayee Dash|2024|CSD Communication|||
description: Related Article: Shilpi Karmakar, Kousik Maji, Sudeshna Mondal, Semantee Bhattacharya, Jyotirmayee Dash|2025|Org.Chem.Front.|12|1485|doi:10.1039/D4QO02126F
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.cc2jqplk
title: CCDC 2345509: Experimental Crystal Structure Determination

description: Related Article: Jyotirmayee Dash|2024|CSD Communication|||
description: Related Article: Shilpi Karmakar, Kousik Maji, Sudeshna Mondal, Semantee Bhattacharya, Jyotirmayee Dash|2025|Org.Chem.Front.|12|1485|doi:10.1039/D4QO02126F
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.cc2jvb4w
title: CSD 2348998: Experimental Crystal Structure Determination

description: Related Article: Zhen Chen, Chuang Zhang, Yuanjing Wang, Hong Ming, Yayun Zhou, Enhai Song, Qinyuan Zhang|2025|Inorg.Chem.Front.|12|2003|doi:10.1039/D4QI03128H
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.cc2k0cb9
title: CCDC 2353840: Experimental Crystal Structure Determination

description: Related Article: Subhash Bairagi, Debipada Chatterjee, Soumen Giri, Sundargopal Ghosh|2025|Chem.Commun.|61|3696|doi:10.1039/D4CC06535B
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.cc2k1f79
title: CCDC 2354860: Experimental Crystal Structure Determination

description: Related Article: Yujing Guo, Yifan Guo, Luyao Ding, Linlin Shi, Xinqi Hao, Rene M. Koenigs|2025|Org.Chem.Front.|12|1612|doi:10.1039/D4QO02194K
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.cc2k1f8b
title: CCDC 2354861: Experimental Crystal Structure Determination

description: Related Article: Yujing Guo, Yifan Guo, Luyao Ding, Linlin Shi, Xinqi Hao, Rene M. Koenigs|2025|Org.Chem.Front.|12|1612|doi:10.1039/D4QO02194K
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.cc2k1f9c
title: CCDC 2354862: Experimental Crystal Structure Determination

description: Related Article: Yujing Guo, Yifan Guo, Luyao Ding, Linlin Shi, Xinqi Hao, Rene M. Koenigs|2025|Org.Chem.Front.|12|1612|doi:10.1039/D4QO02194K
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.cc2kfcx9
title: CCDC 2366351: Experimental Crystal Structure Determination

description: Related Article: Ping Li, Zihuan Qiu, Jian Lu, Ju-You Lu|2025|Inorg.Chem.Front.|12|1994|doi:10.1039/D4QI01727G
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.cc2kk049
title: CCDC 2369830: Experimental Crystal Structure Determination

description: Related Article: Nikita G. Osipov, Maxim A. Faraonov, Aleksey V. Kuzmin, Salavat S. Khasanov, Alexey A. Dmitriev, Nina P. Gritsan, Nikolay N. Denisov, Akihiro Otsuka, Hiroshi Kitagawa, Dmitri V. Konarev|2025|Inorg.Chem.Front.|12|2092|doi:10.1039/D4QI03198A
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.cc2kk05b
title: CCDC 2369831: Experimental Crystal Structure Determination

description: Related Article: Nikita G. Osipov, Maxim A. Faraonov, Aleksey V. Kuzmin, Salavat S. Khasanov, Alexey A. Dmitriev, Nina P. Gritsan, Nikolay N. Denisov, Akihiro Otsuka, Hiroshi Kitagawa, Dmitri V. Konarev|2025|Inorg.Chem.Front.|12|2092|doi:10.1039/D4QI03198A
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.cc2km2z8
title: CCDC 2371840: Experimental Crystal Structure Determination

description: Related Article: Dániel Buzsáki, Dalma Gál, Balázs Szathmári, Tamás Holczbauer, Antal Udvardy, Júlia Kertész Szilágyiné, Denis Kargin, Clemens Bruhn, Rudolf Pietschnig, Zsolt Kelemen|2024|Inorg.Chem.Front.|12|1822|doi:10.1039/D4QI02566K
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.cc2knvps
title: CCDC 2373536: Experimental Crystal Structure Determination

description: Related Article: Jiaxin Wang, Xuelong Zhang, Aichen Li, Rui He, Surong Zhang, Xiangyue Li, Lanlan Zhang, Guodong Ju, Chao Wang|2025|Org.Chem.Front.|12|1513|doi:10.1039/D4QO02187H
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.cc2knxz4
title: CCDC 2373607: Experimental Crystal Structure Determination

description: Related Article: Guoping Yang, Jiawei Cao, Zhoufu Lin, Shixiong Li, Yayu Dong, Yufeng Liu|2025|Inorg.Chem.Front.|12|1831|doi:10.1039/D4QI02897J
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.cc2kp3v7
title: CCDC 2373789: Experimental Crystal Structure Determination

description: Related Article: Yue Guo, Yi-Fan Fu, JiaJing Wu, Jing-Li Qi, Yu-Mei Zhang, Qiao-Feng Huang, Wenlong Liu, Sheng-Ping Guo|2025|Inorg.Chem.Front.|12|1909|doi:10.1039/D4QI03036B
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.cc2kp3w8
title: CCDC 2373790: Experimental Crystal Structure Determination

description: Related Article: Yue Guo, Yi-Fan Fu, JiaJing Wu, Jing-Li Qi, Yu-Mei Zhang, Qiao-Feng Huang, Wenlong Liu, Sheng-Ping Guo|2025|Inorg.Chem.Front.|12|1909|doi:10.1039/D4QI03036B
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.cc2kt72q
title: CCDC 2377733: Experimental Crystal Structure Determination

description: Related Article: Shuwei Li, Linqi Wang, Shangyuan Wang, Jun Ying|2025|Org.Chem.Front.|12|1506|doi:10.1039/D4QO01970A
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.cc2kv1vb
title: CCDC 2378532: Experimental Crystal Structure Determination

description: Related Article: Xiangyu Zhuang, Hao Li, Tingting Wang, Hongyu Wang, Bo Tang|2025|Org.Chem.Front.|12|1556|doi:10.1039/D4QO02052A
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.cc2kv6n9
title: CCDC 2378681: Experimental Crystal Structure Determination

description: Related Article: Chen Pan, Pui-Yu Ho, Wan-Qiong Huang, Gui-Feng Huang, Li-Hua Zhang, Daniel Nnaemaka Tritton, Shek-Man Yiu, Wai-Lun Man, Chi-Chiu Ko, Chi-Fai Leung, Wen-Xiu Ni|2025|Inorg.Chem.Front.|12|1969|doi:10.1039/D4QI02665A
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.cc2kv6pb
title: CCDC 2378682: Experimental Crystal Structure Determination

description: Related Article: Chen Pan, Pui-Yu Ho, Wan-Qiong Huang, Gui-Feng Huang, Li-Hua Zhang, Daniel Nnaemaka Tritton, Shek-Man Yiu, Wai-Lun Man, Chi-Chiu Ko, Chi-Fai Leung, Wen-Xiu Ni|2025|Inorg.Chem.Front.|12|1969|doi:10.1039/D4QI02665A
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.cc2kvfgb
title: CCDC 2378892: Experimental Crystal Structure Determination

description: Related Article: Camiel C. E. Kroonen, Adriano D'Addio, Allesandro Prescimone, Daniel Häussinger, Marcel Mayor|2025|Org.Chem.Front.|12|1399|doi:10.1039/D4QO01808G
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.cc2kvfhc
title: CCDC 2378893: Experimental Crystal Structure Determination

description: Related Article: Camiel C. E. Kroonen, Adriano D'Addio, Allesandro Prescimone, Daniel Häussinger, Marcel Mayor|2025|Org.Chem.Front.|12|1399|doi:10.1039/D4QO01808G
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.cc2kvfjd
title: CCDC 2378894: Experimental Crystal Structure Determination

description: Related Article: Camiel C. E. Kroonen, Adriano D'Addio, Allesandro Prescimone, Daniel Häussinger, Marcel Mayor|2025|Org.Chem.Front.|12|1399|doi:10.1039/D4QO01808G
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.cc2kvnfj
title: CCDC 2379108: Experimental Crystal Structure Determination

description: Related Article: Dániel Buzsáki, Dalma Gál, Balázs Szathmári, Tamás Holczbauer, Antal Udvardy, Júlia Kertész Szilágyiné, Denis Kargin, Clemens Bruhn, Rudolf Pietschnig, Zsolt Kelemen|2024|Inorg.Chem.Front.|12|1822|doi:10.1039/D4QI02566K
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.cc2kylrw
title: CCDC 2381939: Experimental Crystal Structure Determination

description: Related Article: Zixuan Xie, Xiaoheng Ji, Xu Zeng, Daiki Shimizu, Takayuki Tanaka, Yutao Rao, Mingbo Zhou, Ling Xu, Atsuhiro Osuka, Jianxin Song|2025|Org.Chem.Front.|12|1565|doi:10.1039/D4QO02291B
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.cc2kylsx
title: CCDC 2381940: Experimental Crystal Structure Determination

description: Related Article: Zixuan Xie, Xiaoheng Ji, Xu Zeng, Daiki Shimizu, Takayuki Tanaka, Yutao Rao, Mingbo Zhou, Ling Xu, Atsuhiro Osuka, Jianxin Song|2025|Org.Chem.Front.|12|1565|doi:10.1039/D4QO02291B
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.cc2kylty
title: CCDC 2381941: Experimental Crystal Structure Determination

description: Related Article: Zixuan Xie, Xiaoheng Ji, Xu Zeng, Daiki Shimizu, Takayuki Tanaka, Yutao Rao, Mingbo Zhou, Ling Xu, Atsuhiro Osuka, Jianxin Song|2025|Org.Chem.Front.|12|1565|doi:10.1039/D4QO02291B
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.cc2kylvz
title: CCDC 2381942: Experimental Crystal Structure Determination

description: Related Article: Zixuan Xie, Xiaoheng Ji, Xu Zeng, Daiki Shimizu, Takayuki Tanaka, Yutao Rao, Mingbo Zhou, Ling Xu, Atsuhiro Osuka, Jianxin Song|2025|Org.Chem.Front.|12|1565|doi:10.1039/D4QO02291B
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.cc2kylw0
title: CCDC 2381943: Experimental Crystal Structure Determination

description: Related Article: Zixuan Xie, Xiaoheng Ji, Xu Zeng, Daiki Shimizu, Takayuki Tanaka, Yutao Rao, Mingbo Zhou, Ling Xu, Atsuhiro Osuka, Jianxin Song|2025|Org.Chem.Front.|12|1565|doi:10.1039/D4QO02291B
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.