cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2d52m9
title: CCDC 2209420: Experimental Crystal Structure Determination

description: Related Article: Zi-Hui Chen, Dan-Dan Yu, Cong Li, Ming-Zhi Su, Qihao Wu, Zai-Yong Zhang, Jian-Rong Wang, Jia Li, Yue-Wei Guo|2023|Chem.-Eur.J.|29|e202203487|doi:10.1002/chem.202203487
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.cc2d52nb
title: CCDC 2209421: Experimental Crystal Structure Determination

description: Related Article: Zi-Hui Chen, Dan-Dan Yu, Cong Li, Ming-Zhi Su, Qihao Wu, Zai-Yong Zhang, Jian-Rong Wang, Jia Li, Yue-Wei Guo|2023|Chem.-Eur.J.|29|e202203487|doi:10.1002/chem.202203487
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.cc29lv5y
title: CCDC 2133270: Experimental Crystal Structure Determination

description: Related Article: Mei‐Yan Gao, Hui Bai, Xiaofeng Cui, Shuyan Liu, Shan Ling, Tingting Kong, Bing Bai, Canyu Hu, Yitao Dai, Yingguo Zhao, Lei Zhang, Jian Zhang, Yujie Xiong|2022|Angew.Chem.,Int.Ed.|61|e202215540|doi:10.1002/anie.202215540
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.cc29lv6z
title: CCDC 2133271: Experimental Crystal Structure Determination

description: Related Article: Mei‐Yan Gao, Hui Bai, Xiaofeng Cui, Shuyan Liu, Shan Ling, Tingting Kong, Bing Bai, Canyu Hu, Yitao Dai, Yingguo Zhao, Lei Zhang, Jian Zhang, Yujie Xiong|2022|Angew.Chem.,Int.Ed.|61|e202215540|doi:10.1002/anie.202215540
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.cc29lv70
title: CCDC 2133272: Experimental Crystal Structure Determination

description: Related Article: Mei‐Yan Gao, Hui Bai, Xiaofeng Cui, Shuyan Liu, Shan Ling, Tingting Kong, Bing Bai, Canyu Hu, Yitao Dai, Yingguo Zhao, Lei Zhang, Jian Zhang, Yujie Xiong|2022|Angew.Chem.,Int.Ed.|61|e202215540|doi:10.1002/anie.202215540
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.cc2d5xzh
title: CCDC 2210237: Experimental Crystal Structure Determination

description: Related Article: Fei‐Hu Yu, Xiu‐Fang Song, Guan‐Hao Liu, Xiaoyong Chang, Kai Li, Ying Wang, Ganglong Cui, Yong Chen|2022|Chem.-Eur.J.|28|e202202439|doi:10.1002/chem.202202439
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.cc2d5y0k
title: CCDC 2210238: Experimental Crystal Structure Determination

description: Related Article: Fei‐Hu Yu, Xiu‐Fang Song, Guan‐Hao Liu, Xiaoyong Chang, Kai Li, Ying Wang, Ganglong Cui, Yong Chen|2022|Chem.-Eur.J.|28|e202202439|doi:10.1002/chem.202202439
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.cc2d5y1l
title: CCDC 2210239: Experimental Crystal Structure Determination

description: Related Article: Fei‐Hu Yu, Xiu‐Fang Song, Guan‐Hao Liu, Xiaoyong Chang, Kai Li, Ying Wang, Ganglong Cui, Yong Chen|2022|Chem.-Eur.J.|28|e202202439|doi:10.1002/chem.202202439
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.cc2d5zq9
title: CCDC 2210291: Experimental Crystal Structure Determination

description: Related Article: Li-Min Zheng, Qian Zou, Guo-Lu Wang, Yi-Qing Chen, Xin-Da Huang, Ge-Hua Wen, Mingfeng Qin, Song-Song Bao, Yi-Quan Zhang|2023|Chem.-Eur.J.|29|e202203454|doi:10.1002/chem.202203454
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.cc2d60sf
title: CCDC 2210324: Experimental Crystal Structure Determination

description: Related Article: Allison R. Wong, Melissa Barrera, Arpan Pal, Jessica R. Lamb|2022|Macromolecules|55|11006|doi:10.1021/acs.macromol.2c02104
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.cc2d616w
title: CCDC 2210337: Experimental Crystal Structure Determination

description: Related Article: Mitchell J. Demchuk, Joseph A. Zurakowski, Marcus W. Drover|2023|Eur.J.Inorg.Chem.|26|e202200731|doi:10.1002/ejic.202200731
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.cc2d617x
title: CCDC 2210338: Experimental Crystal Structure Determination

description: Related Article: Mitchell J. Demchuk, Joseph A. Zurakowski, Marcus W. Drover|2023|Eur.J.Inorg.Chem.|26|e202200731|doi:10.1002/ejic.202200731
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.cc2d6481
title: CCDC 2210432: Experimental Crystal Structure Determination

description: Related Article: Sophie A. Fitzgerald, Xiao Xiao, Jianzhang Zhao, Peter N. Horton, Simon J. Coles, Benjamin D. Ward, Simon J.A. Pope|2023|Chem.-Eur.J.|29|e202203241|doi:10.1002/chem.202203241
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.cc2d6492
title: CCDC 2210433: Experimental Crystal Structure Determination

description: Related Article: Sophie A. Fitzgerald, Xiao Xiao, Jianzhang Zhao, Peter N. Horton, Simon J. Coles, Benjamin D. Ward, Simon J.A. Pope|2023|Chem.-Eur.J.|29|e202203241|doi:10.1002/chem.202203241
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.cc2d64b3
title: CCDC 2210434: Experimental Crystal Structure Determination

description: Related Article: Sophie A. Fitzgerald, Xiao Xiao, Jianzhang Zhao, Peter N. Horton, Simon J. Coles, Benjamin D. Ward, Simon J.A. Pope|2023|Chem.-Eur.J.|29|e202203241|doi:10.1002/chem.202203241
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.cc2d64c4
title: CCDC 2210435: Experimental Crystal Structure Determination

description: Related Article: Sophie A. Fitzgerald, Xiao Xiao, Jianzhang Zhao, Peter N. Horton, Simon J. Coles, Benjamin D. Ward, Simon J.A. Pope|2023|Chem.-Eur.J.|29|e202203241|doi:10.1002/chem.202203241
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.cc2d64f6
title: CCDC 2210437: Experimental Crystal Structure Determination

description: Related Article: Xuxian Su, Bin Liu, Wen‐Jin Wang, Kun Peng, Bing‐Bing Liang, Yue Zheng, Qian Cao, Zong‐Wan Mao|2023|Angew.Chem.,Int.Ed.|62|e202216917|doi:10.1002/anie.202216917
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.cc2d6751
title: CCDC 2210522: Experimental Crystal Structure Determination

description: Related Article: Yanpeng Liu, Houzong Yao, Man‐Kit Tse, Shu Chen, Shek‐Man Yiu, Guangyu Zhu|2023|Eur.J.Inorg.Chem.|26|e202200438|doi:10.1002/ejic.202200438
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.cc2d6c99
title: CCDC 2210650: Experimental Crystal Structure Determination

description: Related Article: Yan Liu, Shou‐Heng Liao, Wen‐Tao Dai, Qixia Bai, Shuai Lu, Heng Wang, Xiaopeng Li, Zhe Zhang, Pingshan Wang, Wei Lu, Qi Zhang|2023|Angew.Chem.,Int.Ed.|61|e202217215|doi:10.1002/anie.202217215
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.cc2d6cbb
title: CCDC 2210651: Experimental Crystal Structure Determination

description: Related Article: Yan Liu, Shou‐Heng Liao, Wen‐Tao Dai, Qixia Bai, Shuai Lu, Heng Wang, Xiaopeng Li, Zhe Zhang, Pingshan Wang, Wei Lu, Qi Zhang|2023|Angew.Chem.,Int.Ed.|61|e202217215|doi:10.1002/anie.202217215
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.cc2d6cdd
title: CCDC 2210653: Experimental Crystal Structure Determination

description: Related Article: Yan Liu, Shou‐Heng Liao, Wen‐Tao Dai, Qixia Bai, Shuai Lu, Heng Wang, Xiaopeng Li, Zhe Zhang, Pingshan Wang, Wei Lu, Qi Zhang|2023|Angew.Chem.,Int.Ed.|61|e202217215|doi:10.1002/anie.202217215
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.cc2d6ly5
title: CCDC 2210887: Experimental Crystal Structure Determination

description: Related Article: Peter Coburger. Clara Schweinzer, Zhongshu Li, Hansjörg Grützmacher|2023|Angew.Chem.,Int.Ed.|62|e202214548|doi:10.1002/anie.202214548
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.cc2d6lz6
title: CCDC 2210888: Experimental Crystal Structure Determination

description: Related Article: Peter Coburger. Clara Schweinzer, Zhongshu Li, Hansjörg Grützmacher|2023|Angew.Chem.,Int.Ed.|62|e202214548|doi:10.1002/anie.202214548
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.cc2d6m08
title: CCDC 2210889: Experimental Crystal Structure Determination

description: Related Article: Peter Coburger. Clara Schweinzer, Zhongshu Li, Hansjörg Grützmacher|2023|Angew.Chem.,Int.Ed.|62|e202214548|doi:10.1002/anie.202214548
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: 10.5519/qd.1v1eafbr
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (21551 records)
DOI: 10.5517/ccdc.csd.cc234mqm
title: CCDC 1940870: Experimental Crystal Structure Determination

description: Related Article: Chao Liu, Xiangwen Tan, Lingzhi Zhan, Yaru Jing, Wanqing Wu, Zhuofeng Ke, Huanfeng Jiang|2022|Angew.Chem.,Int.Ed.|61|e202215020|doi:10.1002/anie.202215020
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.cc2d6m19
title: CCDC 2210890: Experimental Crystal Structure Determination

description: Related Article: Peter Coburger. Clara Schweinzer, Zhongshu Li, Hansjörg Grützmacher|2023|Angew.Chem.,Int.Ed.|62|e202214548|doi:10.1002/anie.202214548
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.cc2d6mr0
title: CCDC 2210912: Experimental Crystal Structure Determination

description: Related Article: Yuan Yue, Yuanhong Shu, Kaiqi Ye, Jingbo Sun, Cheng Liu, Shuting Dai, Liuyang Jin, Chengde Ding , Ran Lu|2023|Chem.-Eur.J.|29|e202203178|doi:10.1002/chem.202203178
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.cc2d6n5g
title: CCDC 2210925: Experimental Crystal Structure Determination

description: Related Article: Zhuangzhi Shi|2022|CSD Communication|||
description: Related Article: Lin Lin, Xue‐jun Zhang, Xinyu Xu, Yue Zhao, Zhuangzhi Shi|2023|Angew.Chem.,Int.Ed.|62|e202214584|doi:10.1002/anie.202214584
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.cc2d6nfq
title: CCDC 2210933: Experimental Crystal Structure Determination

description: Related Article: Yuan Yue, Yuanhong Shu, Kaiqi Ye, Jingbo Sun, Cheng Liu, Shuting Dai, Liuyang Jin, Chengde Ding , Ran Lu|2023|Chem.-Eur.J.|29|e202203178|doi:10.1002/chem.202203178
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.cc2d6njt
title: CCDC 2210936: Experimental Crystal Structure Determination

description: Related Article: Yuan Yue, Yuanhong Shu, Kaiqi Ye, Jingbo Sun, Cheng Liu, Shuting Dai, Liuyang Jin, Chengde Ding , Ran Lu|2023|Chem.-Eur.J.|29|e202203178|doi:10.1002/chem.202203178
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.cc2d6nmx
title: CCDC 2210939: Experimental Crystal Structure Determination

description: Related Article: Yuan Yue, Yuanhong Shu, Kaiqi Ye, Jingbo Sun, Cheng Liu, Shuting Dai, Liuyang Jin, Chengde Ding , Ran Lu|2023|Chem.-Eur.J.|29|e202203178|doi:10.1002/chem.202203178
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.cc2d6npz
title: CCDC 2210941: Experimental Crystal Structure Determination

description: Related Article: Yuan Yue, Yuanhong Shu, Kaiqi Ye, Jingbo Sun, Cheng Liu, Shuting Dai, Liuyang Jin, Chengde Ding , Ran Lu|2023|Chem.-Eur.J.|29|e202203178|doi:10.1002/chem.202203178
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.cc2d6pcp
title: CCDC 2210962: Experimental Crystal Structure Determination

description: Related Article: Yuan Yue, Yuanhong Shu, Kaiqi Ye, Jingbo Sun, Cheng Liu, Shuting Dai, Liuyang Jin, Chengde Ding , Ran Lu|2023|Chem.-Eur.J.|29|e202203178|doi:10.1002/chem.202203178
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.cc2d6pdq
title: CCDC 2210963: Experimental Crystal Structure Determination

description: Related Article: Yuan Yue, Yuanhong Shu, Kaiqi Ye, Jingbo Sun, Cheng Liu, Shuting Dai, Liuyang Jin, Chengde Ding , Ran Lu|2023|Chem.-Eur.J.|29|e202203178|doi:10.1002/chem.202203178
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.cc2d6r0d
title: CCDC 2211013: Experimental Crystal Structure Determination

description: Related Article: Jun Zhu, Xu‐Dong Wang, Yu‐Fei Ao, Qi‐Qiang Wang, De‐Xian Wang|2023|Chem.-Eur.J.|29|e202203485|doi:10.1002/chem.202203485
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.cc28482s
title: CCDC 2089464: Experimental Crystal Structure Determination

description: Related Article: Yongzhen Peng|2022|CSD Communication|||
description: Related Article: Yongzhen Peng, Zhiguo Wang, Yang Chen, Weihua Xu, Yujing Hu, Zhichun Chen, Jian Xu, Qi Wu|2022|Angew.Chem.,Int.Ed.|61|e202211199|doi:10.1002/anie.202211199
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.