cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc27jlbq
title: CCDC 2071523: Experimental Crystal Structure Determination

description: Related Article: Wataru Matsuoka, Hideto Ito, David Sarlah, Kenichiro Itami|2021|Nat.Commun.|12|3940|doi:10.1038/s41467-021-24261-y
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.cc27jpcv
title: CCDC 2071617: Experimental Crystal Structure Determination

description: Related Article: Takuma Wakiya, Yoshinobu Kamakura, Hiroki Shibahara, Kazuyoshi Ogasawara, Akinori Saeki, Ryosuke Nishikubo, Akihiro Inokuchi, Hirofumi Yoshikawa, Daisuke Tanaka|2021|Angew.Chem.,Int.Ed.|60|23217|doi:10.1002/anie.202110629
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.cc27jm7n
title: CCDC 2071551: Experimental Crystal Structure Determination

description: Related Article: Marhaba Nurmamat, Haili Yan, Ru Wang, Huixin Zhao, Yanhong Li, Xiaojing Wang, Kaidirye Nurmaimaiti, Tamasha Kurmanjiang, Difang Luo, Jumagul Baodi, Guancheng Xu, Jinyu Li|2021|ACS.Med.Chem.Lett.|12|467|doi:10.1021/acsmedchemlett.0c00680
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.cc27jmq4
title: CCDC 2071566: Experimental Crystal Structure Determination

description: Related Article: Cansu Topkaya, Sema Aslan, Tuncer Hökelek, Tolga Göktürk, Sultan Kıncal, Derya Bal Altuntaş, Ramazan Güp|2022|J.Mol.Struct.|1265|133339|doi:10.1016/j.molstruc.2022.133339
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.cc27jn1h
title: CCDC 2071576: Experimental Crystal Structure Determination

description: Related Article: Hayato Shirakura,  Yumehiro Manabe,  Chika Kasai,  Yuya Inaba,  Makoto Tsurui,  Yuichi Kitagawa,  Yasuchika Hasegawa,  Tomoki Yoneda,  Yuki Ide,  Yasuhide Inokuma|2021|Eur.J.Org.Chem.|2021|4345|doi:10.1002/ejoc.202100784
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.cc27jn2j
title: CCDC 2071577: Experimental Crystal Structure Determination

description: Related Article: Hayato Shirakura,  Yumehiro Manabe,  Chika Kasai,  Yuya Inaba,  Makoto Tsurui,  Yuichi Kitagawa,  Yasuchika Hasegawa,  Tomoki Yoneda,  Yuki Ide,  Yasuhide Inokuma|2021|Eur.J.Org.Chem.|2021|4345|doi:10.1002/ejoc.202100784
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.cc27jn3k
title: CCDC 2071578: Experimental Crystal Structure Determination

description: Related Article: Hayato Shirakura,  Yumehiro Manabe,  Chika Kasai,  Yuya Inaba,  Makoto Tsurui,  Yuichi Kitagawa,  Yasuchika Hasegawa,  Tomoki Yoneda,  Yuki Ide,  Yasuhide Inokuma|2021|Eur.J.Org.Chem.|2021|4345|doi:10.1002/ejoc.202100784
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.cc27jn4l
title: CCDC 2071579: Experimental Crystal Structure Determination

description: Related Article: Hayato Shirakura,  Yumehiro Manabe,  Chika Kasai,  Yuya Inaba,  Makoto Tsurui,  Yuichi Kitagawa,  Yasuchika Hasegawa,  Tomoki Yoneda,  Yuki Ide,  Yasuhide Inokuma|2021|Eur.J.Org.Chem.|2021|4345|doi:10.1002/ejoc.202100784
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.cc27jn5m
title: CCDC 2071580: Experimental Crystal Structure Determination

description: Related Article: Chaoyang Zong, xiaoting Zhu, Rongjin Li, Zhe Sun|2021|CSD Communication|||
description: Related Article: Chaoyang Zong, Xiaoting Zhu, Zhanqiang Xu, Lifeng Zhang, Jun Xu, Jing Guo, Qin Xiang, Zebing Zeng, Wenping Hu, Jishan Wu, Rongjin Li, Zhe S|2021|Angew.Chem.,Int.Ed.|60|16230|doi:10.1002/anie.202105872
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.cc27jn6n
title: CCDC 2071581: Experimental Crystal Structure Determination

description: Related Article: Chaoyang Zong|2021|CSD Communication|||
description: Related Article: Chaoyang Zong, Xiaoting Zhu, Zhanqiang Xu, Lifeng Zhang, Jun Xu, Jing Guo, Qin Xiang, Zebing Zeng, Wenping Hu, Jishan Wu, Rongjin Li, Zhe S|2021|Angew.Chem.,Int.Ed.|60|16230|doi:10.1002/anie.202105872
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.cc27jn7p
title: CCDC 2071582: Experimental Crystal Structure Determination

description: Related Article: Wuxin Hu,  Congying Rao,  Chen Chen,  Zehao Liao,  Devyani Srivastava,  Abhinav Kumar|2021|Inorg.Chem.Commun.|130|108685|doi:10.1016/j.inoche.2021.108685
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.cc265nhk
title: CCDC 2031228: Experimental Crystal Structure Determination

description: Related Article: Shu-Wen Sun, Gao-Feng Wang|2022|Crystallogr.Rep.|67|1193|doi:10.1134/S1063774522070136
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.cc27jn9r
title: CCDC 2071584: Experimental Crystal Structure Determination

description: Related Article: Liu Song, Zhenyu Yuan, Chen Yang, Guo Chen, Junqi Wang, Changlin Zhou, Bingcheng Hu|2026|J.Mol.Struct.|1351|144186|doi:10.1016/j.molstruc.2025.144186
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.cc265ngj
title: CCDC 2031227: Experimental Crystal Structure Determination

description: Related Article: Shu-Wen Sun, Gao-Feng Wang|2022|Crystallogr.Rep.|67|1193|doi:10.1134/S1063774522070136
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.cc27jngx
title: CCDC 2071589: Experimental Crystal Structure Determination

description: Related Article: Qian Jin, Yi Zhou, Yonghua Liu|2021|J.Inorg.Organomet.Polym.Mater.|31|4684|doi:10.1007/s10904-021-02069-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.cc26pf3g
title: CCDC 2046375: Experimental Crystal Structure Determination

description: Related Article:  Pengfei Jin, Guanqun Zhan, Guijuan Zheng, Junjun Liu, Xiang Peng, Lang Huang, Biao Gao, Xinghua Yuan, Guangmin Yao|2021|J.Nat.Prod.|84|1326|doi:10.1021/acs.jnatprod.1c00062
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.cc27jnhy
title: CCDC 2071590: Experimental Crystal Structure Determination

description: Related Article: Xiaofeng Yu,  Zhongxia Wang,  Zhiyong Han|2021|Chem. Sel.|6|3403|doi:10.1002/slct.202100635
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.cc27jnjz
title: CCDC 2071591: Experimental Crystal Structure Determination

description: Related Article: Xiaofeng Yu,  Zhongxia Wang,  Zhiyong Han|2021|Chem. Sel.|6|3403|doi:10.1002/slct.202100635
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.cc27jnn3
title: CCDC 2071595: Experimental Crystal Structure Determination

description: Related Article: Galina A. Gurina, Alexander A. Kissel, Anatoly M. Ob’edkov,  Anton V. Cherkasov, Alexander A. Trifonov|2021|Mendeleev Commun.|31|631|doi:10.1016/j.mencom.2021.09.013
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.cc27jnp4
title: CCDC 2071596: Experimental Crystal Structure Determination

description: Related Article: Galina A. Gurina, Alexander A. Kissel, Anatoly M. Ob’edkov,  Anton V. Cherkasov, Alexander A. Trifonov|2021|Mendeleev Commun.|31|631|doi:10.1016/j.mencom.2021.09.013
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.cc27jnzf
title: CCDC 2071605: Experimental Crystal Structure Determination

description: Related Article: Wei‐Ming Liu, Cheng‐Sheng Zhou, Cai‐Xia Lin, Jian‐Feng Yan, Yao‐Feng Yuan|2022|Appl.Organomet.Chem.|36|e6498|doi:10.1002/aoc.6498
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.cc26l162
title: CCDC 2043123: Experimental Crystal Structure Determination

description: Related Article: Jia-Hui Zheng, Yu-Han Zhang, Yue Shen, Xin-Yue Zhang, Bin-Qiu Liu, Ju-Wen Zhang|2021|Inorg.Chim.Acta|527|120550|doi:10.1016/j.ica.2021.120550
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.cc21yml7
title: CSD 1905309: Experimental Crystal Structure Determination

description: Related Article: Zengmin Li,  Yating Wen,  Ning Wang,  Feng Han,  Ying Li,  Hongfeng Zhuang,  Chengxia Miao|2021|Eur.J.Org.Chem.|2021|3819|doi:10.1002/ejoc.202100564
description: Related Article: Vivek Das, Imran Khan, Firasat Hussain, Masahiro Sadakane, Nao Tsunoji, Katsuya Ichihashi, Chisato Kato, Katsuya Inoue, Sadafumi Nishihara|2021|Eur.J.Inorg.Chem.|2021|3819|doi:10.1002/ejic.202100528
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.cc27jp1j
title: CCDC 2071607: Experimental Crystal Structure Determination

description: Related Article: Wei‐Ming Liu, Cheng‐Sheng Zhou, Cai‐Xia Lin, Jian‐Feng Yan, Yao‐Feng Yuan|2022|Appl.Organomet.Chem.|36|e6498|doi:10.1002/aoc.6498
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.cc21ymm8
title: CSD 1905310: Experimental Crystal Structure Determination

description: Related Article: Zengmin Li,  Yating Wen,  Ning Wang,  Feng Han,  Ying Li,  Hongfeng Zhuang,  Chengxia Miao|2021|Eur.J.Org.Chem.|2021|3819|doi:10.1002/ejoc.202100564
description: Related Article: Vivek Das, Imran Khan, Firasat Hussain, Masahiro Sadakane, Nao Tsunoji, Katsuya Ichihashi, Chisato Kato, Katsuya Inoue, Sadafumi Nishihara|2021|Eur.J.Inorg.Chem.|2021|3819|doi:10.1002/ejic.202100528
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc21ymn9
title: CSD 1905311: Experimental Crystal Structure Determination

description: Related Article: Zengmin Li,  Yating Wen,  Ning Wang,  Feng Han,  Ying Li,  Hongfeng Zhuang,  Chengxia Miao|2021|Eur.J.Org.Chem.|2021|3819|doi:10.1002/ejoc.202100564
description: Related Article: Vivek Das, Imran Khan, Firasat Hussain, Masahiro Sadakane, Nao Tsunoji, Katsuya Ichihashi, Chisato Kato, Katsuya Inoue, Sadafumi Nishihara|2021|Eur.J.Inorg.Chem.|2021|3819|doi:10.1002/ejic.202100528
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc21ympb
title: CSD 1905312: Experimental Crystal Structure Determination

description: Related Article: Zengmin Li,  Yating Wen,  Ning Wang,  Feng Han,  Ying Li,  Hongfeng Zhuang,  Chengxia Miao|2021|Eur.J.Org.Chem.|2021|3819|doi:10.1002/ejoc.202100564
description: Related Article: Vivek Das, Imran Khan, Firasat Hussain, Masahiro Sadakane, Nao Tsunoji, Katsuya Ichihashi, Chisato Kato, Katsuya Inoue, Sadafumi Nishihara|2021|Eur.J.Inorg.Chem.|2021|3819|doi:10.1002/ejic.202100528
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc21ymqc
title: CSD 1905313: Experimental Crystal Structure Determination

description: Related Article: Zengmin Li,  Yating Wen,  Ning Wang,  Feng Han,  Ying Li,  Hongfeng Zhuang,  Chengxia Miao|2021|Eur.J.Org.Chem.|2021|3819|doi:10.1002/ejoc.202100564
description: Related Article: Vivek Das, Imran Khan, Firasat Hussain, Masahiro Sadakane, Nao Tsunoji, Katsuya Ichihashi, Chisato Kato, Katsuya Inoue, Sadafumi Nishihara|2021|Eur.J.Inorg.Chem.|2021|3819|doi:10.1002/ejic.202100528
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc21ymrd
title: CSD 1905314: Experimental Crystal Structure Determination

description: Related Article: Zengmin Li,  Yating Wen,  Ning Wang,  Feng Han,  Ying Li,  Hongfeng Zhuang,  Chengxia Miao|2021|Eur.J.Org.Chem.|2021|3819|doi:10.1002/ejoc.202100564
description: Related Article: Vivek Das, Imran Khan, Firasat Hussain, Masahiro Sadakane, Nao Tsunoji, Katsuya Ichihashi, Chisato Kato, Katsuya Inoue, Sadafumi Nishihara|2021|Eur.J.Inorg.Chem.|2021|3819|doi:10.1002/ejic.202100528
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc21ymsf
title: CSD 1905315: Experimental Crystal Structure Determination

description: Related Article: Zengmin Li,  Yating Wen,  Ning Wang,  Feng Han,  Ying Li,  Hongfeng Zhuang,  Chengxia Miao|2021|Eur.J.Org.Chem.|2021|3819|doi:10.1002/ejoc.202100564
description: Related Article: Vivek Das, Imran Khan, Firasat Hussain, Masahiro Sadakane, Nao Tsunoji, Katsuya Ichihashi, Chisato Kato, Katsuya Inoue, Sadafumi Nishihara|2021|Eur.J.Inorg.Chem.|2021|3819|doi:10.1002/ejic.202100528
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc21ymtg
title: CSD 1905316: Experimental Crystal Structure Determination

description: Related Article: Zengmin Li,  Yating Wen,  Ning Wang,  Feng Han,  Ying Li,  Hongfeng Zhuang,  Chengxia Miao|2021|Eur.J.Org.Chem.|2021|3819|doi:10.1002/ejoc.202100564
description: Related Article: Vivek Das, Imran Khan, Firasat Hussain, Masahiro Sadakane, Nao Tsunoji, Katsuya Ichihashi, Chisato Kato, Katsuya Inoue, Sadafumi Nishihara|2021|Eur.J.Inorg.Chem.|2021|3819|doi:10.1002/ejic.202100528
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.cc27jp6p
title: CCDC 2071612: Experimental Crystal Structure Determination

description: Related Article: Jinxing Jiang, Ge Yao, Yaqin Cui, Luya Cao, Yadong Zhang, Kun Yuan, Xiaobo Pan, Yu Tang, Jincai Wu|2025|J.Am.Chem.Soc.|||doi:10.1021/jacs.5c13840
description: Related Article: Jinxing Jiang|2021|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.