cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2j30sg
title: CCDC 2326605: Experimental Crystal Structure Determination

description: Related Article: Xiu-Ju Yin, Jing Yang, Ying-Ying Xu, Meng-Jie Wu, Zhong-Xuan Xu|2024|J.Solid State Chem.|334|124679|doi:10.1016/j.jssc.2024.124679
description: Related Article: Xiu-Ju Yin, Jing Yang, Ying-Ying Xu, Meng-Jie Wu, Zhong-Xuan Xu|2024|J.Solid State Chem.|334|124679|doi:10.1016/j.jssc.2024.124679
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.cc2j30th
title: CCDC 2326606: Experimental Crystal Structure Determination

description: Related Article: Xiu-Ju Yin, Jing Yang, Ying-Ying Xu, Meng-Jie Wu, Zhong-Xuan Xu|2024|J.Solid State Chem.|334|124679|doi:10.1016/j.jssc.2024.124679
description: Related Article: Xiu-Ju Yin, Jing Yang, Ying-Ying Xu, Meng-Jie Wu, Zhong-Xuan Xu|2024|J.Solid State Chem.|334|124679|doi:10.1016/j.jssc.2024.124679
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.cc2j30vj
title: CCDC 2326607: Experimental Crystal Structure Determination

description: Related Article: Xiu-Ju Yin, Jing Yang, Ying-Ying Xu, Meng-Jie Wu, Zhong-Xuan Xu|2024|J.Solid State Chem.|334|124679|doi:10.1016/j.jssc.2024.124679
description: Related Article: Xiu-Ju Yin, Jing Yang, Ying-Ying Xu, Meng-Jie Wu, Zhong-Xuan Xu|2024|J.Solid State Chem.|334|124679|doi:10.1016/j.jssc.2024.124679
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.cc2j30wk
title: CCDC 2326608: Experimental Crystal Structure Determination

description: Related Article: Xiu-Ju Yin, Jing Yang, Ying-Ying Xu, Meng-Jie Wu, Zhong-Xuan Xu|2024|J.Solid State Chem.|334|124679|doi:10.1016/j.jssc.2024.124679
description: Related Article: Xiu-Ju Yin, Jing Yang, Ying-Ying Xu, Meng-Jie Wu, Zhong-Xuan Xu|2024|J.Solid State Chem.|334|124679|doi:10.1016/j.jssc.2024.124679
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.cc2fgmh1
title: CCDC 2248383: Experimental Crystal Structure Determination

description: Related Article: Baldeep K. Sidhu, Rajarshi Mondal, David E. Herbert|2024|Adv.Synth.Catal.|366|1809|doi:10.1002/adsc.202301383
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.cc2j30ym
title: CCDC 2326610: Experimental Crystal Structure Determination

description: Related Article: Ting T. Wu,  Si N. Gu,  Zhi Y. Ou,  Ting Y. Nie,  Yang Liu|2024|Z.Kristallogr.-New Cryst.Struct.|239|455|doi:10.1515/ncrs-2024-0043
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.cc2j311r
title: CCDC 2326613: Experimental Crystal Structure Determination

description: Related Article: Tatsunori Sakagami, Ryosuke Matsui, Shohei Aoyama, Erina Niijima, Gary J. Richards, Akiko Hori, Osamu Kitagawa|2024|J.Org.Chem.|89|7312|doi:10.1021/acs.joc.4c00460
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.cc2j313t
title: CCDC 2326615: Experimental Crystal Structure Determination

description: Related Article: Yanping Dong, Xiqiang Tian, Wenjing Ye, Yuhang Sun, Qi Guo|2025|J.Mol.Struct.|1320|139509|doi:10.1016/j.molstruc.2024.139509
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.cc2j314v
title: CCDC 2326616: Experimental Crystal Structure Determination

description: Related Article: Yanping Dong, Xiqiang Tian, Wenjing Ye, Yuhang Sun, Qi Guo|2025|J.Mol.Struct.|1320|139509|doi:10.1016/j.molstruc.2024.139509
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.cc2j315w
title: CCDC 2326617: Experimental Crystal Structure Determination

description: Related Article: Xinyue Wang, Jinhui Wang, Xinyuan Zhang, Fei Liang, Zhanggui Hu, Yicheng Wu|2024|Cryst.Growth Des.|24|4451|doi:10.1021/acs.cgd.4c00107
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.cc2hbjlz
title: CCDC 2304031: Experimental Crystal Structure Determination

description: Related Article: Alexander Yu. Makarov, Alexander A. Buravlev, Galina V. Romanenko, Artem S. Bogomyakov, Boris A. Zakharov, Vitaly A. Morozov, Alexander S. Sukhikh, Inna K. Shundrina, Leonid A. Shundrin, Irina G. Irtegova, Svetlana V. Cherepanova, Irina Yu. Bagryanskaya, Pavel V. Nikulshin, Andrey V. Zibarev|2024|ChemPlusChem|69|e202300736|doi:10.1002/cplu.202300736
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.cc2j316x
title: CCDC 2326618: Experimental Crystal Structure Determination

description: Related Article: Xinyue Wang, Jinhui Wang, Xinyuan Zhang, Fei Liang, Zhanggui Hu, Yicheng Wu|2024|Cryst.Growth Des.|24|4451|doi:10.1021/acs.cgd.4c00107
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.cc2j34tm
title: CCDC 2326730: Experimental Crystal Structure Determination

description: Related Article: Muzi Li, Xu-Lun Huang, Zuo-Yu Zhang, Zhiping Wang, Zhuo Wu, Hui Yang, Wen-Jie Shen, Yuan-Zheng Cheng, Shu-Li You|2024|J.Am.Chem.Soc.|146|16982|doi:10.1021/jacs.4c05288
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.cc2j34vn
title: CCDC 2326731: Experimental Crystal Structure Determination

description: Related Article: Muzi Li, Xu-Lun Huang, Zuo-Yu Zhang, Zhiping Wang, Zhuo Wu, Hui Yang, Wen-Jie Shen, Yuan-Zheng Cheng, Shu-Li You|2024|J.Am.Chem.Soc.|146|16982|doi:10.1021/jacs.4c05288
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.cc2j317y
title: CCDC 2326619: Experimental Crystal Structure Determination

description: Related Article: Yanping Dong, Xiqiang Tian, Wenjing Ye, Yuhang Sun, Qi Guo|2025|J.Mol.Struct.|1320|139509|doi:10.1016/j.molstruc.2024.139509
description: Related Article: zhang zhang|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: 10.5517/ccdc.csd.cc2j318z
title: CCDC 2326620: Experimental Crystal Structure Determination

description: Related Article: Sudip Laru, Sourav Ghoshal, Pranab Sarkar, Alakananda Hajra|2024|Org.Lett.|26|5098|doi:10.1021/acs.orglett.4c01323
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.cc2j3190
title: CCDC 2326621: Experimental Crystal Structure Determination

description: Related Article: Sudip Laru, Sourav Ghoshal, Pranab Sarkar, Alakananda Hajra|2024|Org.Lett.|26|5098|doi:10.1021/acs.orglett.4c01323
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.cc2j31c2
title: CCDC 2326623: Experimental Crystal Structure Determination

description: Related Article: Yanping Dong, Xiqiang Tian, Wenjing Ye, Yuhang Sun, Qi Guo|2025|J.Mol.Struct.|1320|139509|doi:10.1016/j.molstruc.2024.139509
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.cc2j31d3
title: CCDC 2326624: Experimental Crystal Structure Determination

description: Related Article: Yanping Dong, Xiqiang Tian, Wenjing Ye, Yuhang Sun, Qi Guo|2025|J.Mol.Struct.|1320|139509|doi:10.1016/j.molstruc.2024.139509
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.cc2hjt95
title: CCDC 2310067: Experimental Crystal Structure Determination

description: Related Article: Mao Yamaguchi, Mario de la Hoz Tomás, Ayano Fujiwara, Ryusei Oketani, Kohei Okubo, Kouki Oka, Norimitsu Tohnai, Abderrazzak Douhal, Ichiro Hisaki|2024|Bull.Chem.Soc.Jpn.|97||doi:10.1093/bulcsj/uoae004
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.cc2j31f4
title: CCDC 2326625: Experimental Crystal Structure Determination

description: Related Article: Yanping Dong, Xiqiang Tian, Wenjing Ye, Yuhang Sun, Qi Guo|2025|J.Mol.Struct.|1320|139509|doi:10.1016/j.molstruc.2024.139509
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.cc2j31sh
title: CCDC 2326636: Experimental Crystal Structure Determination

description: Related Article: Tobias Mayer, Peter Mayer, Hans-Christian Böttcher|2024|Z.Naturforsch.,B:Chem.Sci.|79|327|doi:10.1515/znb-2024-0006
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.cc2j321s
title: CCDC 2326644: Experimental Crystal Structure Determination

description: Related Article: Pramit Giri, Sumi Ganguly, Soumyabrata Goswami|2024|Inorg.Chim.Acta|571|122245|doi:10.1016/j.ica.2024.122245
description: Related Article: Pramit Giri, Sumi Ganguly, Soumyabrata Goswami|2024|Inorg.Chim.Acta|571|122245|doi:10.1016/j.ica.2024.122245
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.cc2j322t
title: CCDC 2326645: Experimental Crystal Structure Determination

description: Related Article: Pramit Giri, Sumi Ganguly, Soumyabrata Goswami|2024|Inorg.Chim.Acta|571|122245|doi:10.1016/j.ica.2024.122245
description: Related Article: Pramit Giri, Sumi Ganguly, Soumyabrata Goswami|2024|Inorg.Chim.Acta|571|122245|doi:10.1016/j.ica.2024.122245
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.cc2j324w
title: CCDC 2326647: Experimental Crystal Structure Determination

description: Related Article: A. D. Baranovskiy,  E. V. Shchegolkov,  Ya. V. Burgart,  O. P. Krasnykh,  K. O. Malysheva,  N. A. Gerasimova,  N. P. Evstigneeva,  V. I. Saloutin|2024|Izv.Akad.Nauk SSSR,Ser.Khim.|73|1984|doi:10.1007/s11172-024-4318-3
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2j3280
title: CCDC 2326651: Experimental Crystal Structure Determination

description: Related Article: Lin Wang, Qihuang Xie, Xiaoju Shi, Yujing Zhu, Shuyan Li, Fang Ji, Jing Yu, Duanxiu Li, Hailu Zhang |2024|J.Mol.Struct.|1308|138124|doi:10.1016/j.molstruc.2024.138124
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.cc2j32nd
title: CCDC 2326663: Experimental Crystal Structure Determination

description: Related Article: Qing-Jie Zhou, Peng Cao, Zi-Ning Zhou, Ke Xu, Ya-Wen Yang, Lei He, Qiong Ye|2024|Inorg.Chem.|63|8846|doi:10.1021/acs.inorgchem.4c00707
description: Related Article: qingjie Zhou|2024|CSD Communication|||
description: Related Article: Qing-Jie Zhou, Peng Cao, Zi-Ning Zhou, Ke Xu, Ya-Wen Yang, Lei He, Qiong Ye|2024|Inorg.Chem.|63|8846|doi:10.1021/acs.inorgchem.4c00707
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.cc2j32pf
title: CCDC 2326664: Experimental Crystal Structure Determination

description: Related Article: Qing-Jie Zhou, Peng Cao, Zi-Ning Zhou, Ke Xu, Ya-Wen Yang, Lei He, Qiong Ye|2024|Inorg.Chem.|63|8846|doi:10.1021/acs.inorgchem.4c00707
description: Related Article: Qing-Jie Zhou, Peng Cao, Zi-Ning Zhou, Ke Xu, Ya-Wen Yang, Lei He, Qiong Ye|2024|Inorg.Chem.|63|8846|doi:10.1021/acs.inorgchem.4c00707
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.cc2cx2ft
title: CCDC 2201726: Experimental Crystal Structure Determination

description: Related Article: Hua-Hua Wang, Hui Shao, Guanglong Huang, Jianqiang Fan, Wai-Pong To, Li Dang, Yungen Liu, Chi-Ming Che|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202218577
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.cc2j32qg
title: CCDC 2326665: Experimental Crystal Structure Determination

description: Related Article: Kaito Shibahara, Yoshihito Kayaki, Yuki Nagashima, Kohei Fujii, Ken Tanaka|2024|Nat. Synth.|3|1414|doi:10.1038/s44160-024-00604-7
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2j3370
title: CCDC 2326681: Experimental Crystal Structure Determination

description: Related Article: Xinyan Ding,  Liguo Gao|2024|Z.Kristallogr.-New Cryst.Struct.|239|175|doi:10.1515/ncrs-2023-0468
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.cc2j3381
title: CCDC 2326682: Experimental Crystal Structure Determination

description: Related Article: Hongshuai Wang, Lei Wang, Guanying Xie, Changlin Yao, Shuhong Song, Huimin Li, Yaqian Qu, Peizhuo Han, Zeliang Gao, Xutang Tao|2024|Cryst.Growth Des.|24|3399|doi:10.1021/acs.cgd.4c00120
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.cc2j3392
title: CCDC 2326683: Experimental Crystal Structure Determination

description: Related Article: Hongshuai Wang, Lei Wang, Guanying Xie, Changlin Yao, Shuhong Song, Huimin Li, Yaqian Qu, Peizhuo Han, Zeliang Gao, Xutang Tao|2024|Cryst.Growth Des.|24|3399|doi:10.1021/acs.cgd.4c00120
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.cc2j33b3
title: CCDC 2326684: Experimental Crystal Structure Determination

description: Related Article: Xue Zeng, Yuanjiao Feng, Lei Shi, Wenwu Zhong, Yahui Niu |2024|Z.Kristallogr.-New Cryst.Struct.|239|299|doi:10.1515/ncrs-2023-0538
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.cc2j33c4
title: CCDC 2326685: Experimental Crystal Structure Determination

description: Related Article: Ling-Kun Wu, Yan Feng, Qing-Hua Zou, Lu-Lu Jiang, Ze-Jie Wang, Na Wang, Heng-Yun Ye, Jian-Rong Li|2024|Inorg.Chem.|63|6972|doi:10.1021/acs.inorgchem.4c00502
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.