cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2n7sf4
title: CCDC 2450346: Experimental Crystal Structure Determination

description: Related Article: Yu Chen, Xiu-Qi Kang, Xiao-Xiang Fan, Hong- Yu Wang, Jin-Zhong Gu|2025|J.Mol.Struct.|1345|143042|doi:10.1016/j.molstruc.2025.143042
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.cc2n7sg5
title: CCDC 2450347: Experimental Crystal Structure Determination

description: Related Article: Yu Chen, Xiu-Qi Kang, Xiao-Xiang Fan, Hong- Yu Wang, Jin-Zhong Gu|2025|J.Mol.Struct.|1345|143042|doi:10.1016/j.molstruc.2025.143042
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.cc2n7sh6
title: CCDC 2450348: Experimental Crystal Structure Determination

description: Related Article: Yu Chen, Xiu-Qi Kang, Xiao-Xiang Fan, Hong- Yu Wang, Jin-Zhong Gu|2025|J.Mol.Struct.|1345|143042|doi:10.1016/j.molstruc.2025.143042
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.cc2n7sj7
title: CCDC 2450349: Experimental Crystal Structure Determination

description: Related Article: Yu Chen, Xiu-Qi Kang, Xiao-Xiang Fan, Hong- Yu Wang, Jin-Zhong Gu|2025|J.Mol.Struct.|1345|143042|doi:10.1016/j.molstruc.2025.143042
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.cc2n7sk8
title: CCDC 2450350: Experimental Crystal Structure Determination

description: Related Article: Yu Chen, Xiu-Qi Kang, Xiao-Xiang Fan, Hong- Yu Wang, Jin-Zhong Gu|2025|J.Mol.Struct.|1345|143042|doi:10.1016/j.molstruc.2025.143042
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.cc2n7sl9
title: CCDC 2450351: Experimental Crystal Structure Determination

description: Related Article: Yu Chen, Xiu-Qi Kang, Xiao-Xiang Fan, Hong- Yu Wang, Jin-Zhong Gu|2025|J.Mol.Struct.|1345|143042|doi:10.1016/j.molstruc.2025.143042
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.cc2n7fq2
title: CCDC 2450014: Experimental Crystal Structure Determination

description: Related Article: Hao Ai, Qiushuo Li, Qiong Xu, Xiangying Li, Degen Li, Qiong Wu|2025|J.Mol.Struct.|1348|143508|doi:10.1016/j.molstruc.2025.143508
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.cc2n7ggv
title: CCDC 2450037: Experimental Crystal Structure Determination

description: Related Article: Xiaochen Wang, Senhui Wu, Hongyu Zhang, Qingmin Wang, Shurong Ban|2025|Org.Chem.Front.|12|6003|doi:10.1039/D5QO00819K
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.cc2n7gx9
title: CCDC 2450051: Experimental Crystal Structure Determination

description: Related Article: Kazuki Nakamura, Wakano Ota, Maryam Alashoor, Guanping Li, Sumit Ranjan Maity, Yuiga Nakamura, Olaf Stefanczyk, Koji Nakabayashi, Eric Collet, Shin-ichi Ohkoshi, Laurent Guérin|2025|Chem.Mater.|37|6004|doi:10.1021/acs.chemmater.5c01338
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.cc2md2ty
title: CCDC 2424690: Experimental Crystal Structure Determination

description: Related Article: Li-Ping Zhong, Cyrus Gudeman, Jingsong Zhen, Oshani  A. Wanasinghe, Jacob Hellmig, John Bacsa, Alexander Adibekian, Mingji Dai|2025|CSD Communication|||
description: Related Article: Li-Ping Zhong, Cyrus Gudeman, Jingsong Zhen, Oshani A. Wanasinghe, Jacob Hellmig, Michael J. E. Collins, John Bacsa, Alexander Adibekian, Mingji Dai|2025|J.Am.Chem.Soc.|147|28589|doi:10.1021/jacs.5c08224
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.cc2n7hfv
title: CCDC 2450067: Experimental Crystal Structure Determination

description: Related Article: Wen Qin, Ya-Tong Liu, Guiying Hu, Yan Zhao, Chuanbin Fan, Yue-Li Zou, Zhiyong Xing|2025|Inorg.Chem.Commun.|182|115549|doi:10.1016/j.inoche.2025.115549
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.cc2n7hn2
title: CCDC 2450074: Experimental Crystal Structure Determination

description: Related Article: Eylem Aslan Yilmaz, Ummuhan Solmaz, Hakan Arslan|2026|J.Mol.Struct.|1350|144055|doi:10.1016/j.molstruc.2025.144055
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.cc2n7hp3
title: CCDC 2450075: Experimental Crystal Structure Determination

description: Related Article: Eylem Aslan Yilmaz, Ummuhan Solmaz, Hakan Arslan|2026|J.Mol.Struct.|1350|144055|doi:10.1016/j.molstruc.2025.144055
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.cc2mcl2p
title: CCDC 2424202: Experimental Crystal Structure Determination

description: Related Article: Xin-Yu Chen, Lan-Yan Li, Lan-Cheng Zhao, Qing-Yi Liu, Dang-Dang Ding, Li-Li Zhang, Xiao-Yan Sun, Li-Kai Wang, Hong-Bing Mo, Jun Yan, Chao Liu|2025|Angew.Chem.,Int.Ed.|64|e202511232|doi:10.1002/anie.202511232
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.cc2mcl3q
title: CCDC 2424203: Experimental Crystal Structure Determination

description: Related Article: Xin-Yu Chen, Lan-Yan Li, Lan-Cheng Zhao, Qing-Yi Liu, Dang-Dang Ding, Li-Li Zhang, Xiao-Yan Sun, Li-Kai Wang, Hong-Bing Mo, Jun Yan, Chao Liu|2025|Angew.Chem.,Int.Ed.|64|e202511232|doi:10.1002/anie.202511232
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.cc2n7hr5
title: CCDC 2450077: Experimental Crystal Structure Determination

description: Related Article: Suguru Ito, Kiyotaka Fukuhara, Nayuta Arakawa, Seika Suzuki, Yoshitane Imai|2025|Chem.-Eur.J.|31|e202501677|doi:10.1002/chem.202501677
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.cc2n7hs6
title: CCDC 2450078: Experimental Crystal Structure Determination

description: Related Article: Suguru Ito, Kiyotaka Fukuhara, Nayuta Arakawa, Seika Suzuki, Yoshitane Imai|2025|Chem.-Eur.J.|31|e202501677|doi:10.1002/chem.202501677
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.cc2n7ht7
title: CCDC 2450079: Experimental Crystal Structure Determination

description: Related Article: Suguru Ito, Kiyotaka Fukuhara, Nayuta Arakawa, Seika Suzuki, Yoshitane Imai|2025|Chem.-Eur.J.|31|e202501677|doi:10.1002/chem.202501677
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.cc2n7hv8
title: CCDC 2450080: Experimental Crystal Structure Determination

description: Related Article: Suguru Ito, Kiyotaka Fukuhara, Nayuta Arakawa, Seika Suzuki, Yoshitane Imai|2025|Chem.-Eur.J.|31|e202501677|doi:10.1002/chem.202501677
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.cc2n7jct
title: CCDC 2450096: Experimental Crystal Structure Determination

description: Related Article: Xiao-Juan Xi, Zhenyu Ji, Feifan Lang, Yang Li, Cha Li, Hao Zhang, Jiandong Pang, Mingyan Wu, Xian-He Bu|2025|Chin.J.Chem.|43|2892|doi:10.1002/cjoc.70190
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.cc2n7jdv
title: CCDC 2450097: Experimental Crystal Structure Determination

description: Related Article: Xiao-Juan Xi, Zhenyu Ji, Feifan Lang, Yang Li, Cha Li, Hao Zhang, Jiandong Pang, Mingyan Wu, Xian-He Bu|2025|Chin.J.Chem.|43|2892|doi:10.1002/cjoc.70190
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.cc2n7k0h
title: CCDC 2450116: Experimental Crystal Structure Determination

description: Related Article: Songna Zhang, Yuxi Wei, Qiong Chen, Yongwei Qian, Guangcheng Wu, Chenqi Ge, Feihe Huang, Hao Li|2025|J.Am.Chem.Soc.|147|36843|doi:10.1021/jacs.5c13338
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.cc2n7k5n
title: CCDC 2450121: Experimental Crystal Structure Determination

description: Related Article: Dinghui Chen, Kang Le Osmund Chin, Xiang Yun Debbie Soo, Feng Xia Wei, Ke Li, Pin Jin Ong, Qiang Zhu, Xizu Wang, Teck Lip Dexter Tam, Zhuang Mao Png, Ming Hui Chua, Hong Meng, Jianwei Xu|2025|Materials Horizons|6|7436|doi:10.1039/d5ma00507h
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.cc2n7k6p
title: CCDC 2450122: Experimental Crystal Structure Determination

description: Related Article: Dinghui Chen, Kang Le Osmund Chin, Xiang Yun Debbie Soo, Feng Xia Wei, Ke Li, Pin Jin Ong, Qiang Zhu, Xizu Wang, Teck Lip Dexter Tam, Zhuang Mao Png, Ming Hui Chua, Hong Meng, Jianwei Xu|2025|Materials Horizons|6|7436|doi:10.1039/d5ma00507h
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.cc2n7k9s
title: CCDC 2450125: Experimental Crystal Structure Determination

description: Related Article: Songna Zhang, Yuxi Wei, Qiong Chen, Yongwei Qian, Guangcheng Wu, Chenqi Ge, Feihe Huang, Hao Li|2025|J.Am.Chem.Soc.|147|36843|doi:10.1021/jacs.5c13338
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.cc2n7khz
title: CCDC 2450131: Experimental Crystal Structure Determination

description: Related Article: Masaya Yoshida, Kyota Yasuda, Takuma Matsumoto, Yudai Ono, Naoyuki Hisano, Mao Kawasaki, Takehiro Hirao, Ye Yuan, Shin-ichi Tate, Martin Vacha, Takeharu Haino|2025|J.Am.Chem.Soc.|147|30674|doi:10.1021/jacs.5c03761
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.cc2n7kr7
title: CCDC 2450139: Experimental Crystal Structure Determination

description: Related Article: Kazuki Nakamura, Wakano Ota, Maryam Alashoor, Guanping Li, Sumit Ranjan Maity, Yuiga Nakamura, Olaf Stefanczyk, Koji Nakabayashi, Eric Collet, Shin-ichi Ohkoshi, Laurent Guérin|2025|Chem.Mater.|37|6004|doi:10.1021/acs.chemmater.5c01338
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.cc2n7ks8
title: CCDC 2450140: Experimental Crystal Structure Determination

description: Related Article: Kazuki Nakamura, Wakano Ota, Maryam Alashoor, Guanping Li, Sumit Ranjan Maity, Yuiga Nakamura, Olaf Stefanczyk, Koji Nakabayashi, Eric Collet, Shin-ichi Ohkoshi, Laurent Guérin|2025|Chem.Mater.|37|6004|doi:10.1021/acs.chemmater.5c01338
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.cc2n7kt9
title: CCDC 2450141: Experimental Crystal Structure Determination

description: Related Article: Kazuki Nakamura, Wakano Ota, Maryam Alashoor, Guanping Li, Sumit Ranjan Maity, Yuiga Nakamura, Olaf Stefanczyk, Koji Nakabayashi, Eric Collet, Shin-ichi Ohkoshi, Laurent Guérin|2025|Chem.Mater.|37|6004|doi:10.1021/acs.chemmater.5c01338
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.cc2n7ldx
title: CCDC 2450159: Experimental Crystal Structure Determination

description: Related Article: Hao-Fei Ni, Qi-Fang Zhou, Jia-Qi Luo, Gele Teri, Lei Pan, Lou-Kai Ye, Qiang-Qiang Jia, Pei-Zhi Huang, Pei-Guo Liu, Chang-Feng Wang, Zhi-Xu Zhang, Da-Wei Fu, Yi Zhang|2025|Nat.Commun.|16|7760|doi:10.1038/s41467-025-63134-6
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2n7n9w
title: CCDC 2450218: Experimental Crystal Structure Determination

description: Related Article: Yamin Guo, Yanrong Gao, Wenqiang Tang|2025|Z.Kristallogr.-New Cryst.Struct.|240|649|doi:10.1515/ncrs-2025-0162
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.cc2dn16b
title: CCDC 2223791: Experimental Crystal Structure Determination

description: Related Article: Hui Yu, Feng Xu|2025|Z.Kristallogr.-New Cryst.Struct.|240|647|doi:10.1515/ncrs-2025-0159
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.cc2n7nj3
title: CCDC 2450225: Experimental Crystal Structure Determination

description: Related Article: Yuan-Yi Lu, Junfen Han, Yu Teng, Meng-Qiang Cai, Hong-Shuang Li|2025|Org.Lett.|27|7885|doi:10.1021/acs.orglett.5c02201
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.cc2n7vzr
title: CCDC 2450425: Experimental Crystal Structure Determination

description: Related Article: Burak Ay, Kosei Sugai, Takayuki Ishida|2026|Inorg.Chim.Acta|589||doi:10.1016/j.ica.2025.122930
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.cc2mpgld
title: CCDC 2433704: Experimental Crystal Structure Determination

description: Related Article: Hikaru Ishikura, Juan Rojas, Callum S Begg, Chulho Choi, James A Bull|2025|ChemRxiv|||doi:10.26434/chemrxiv-2025-dfrd1
description: Related Article: Hikaru Ishikura, Juan J. Rojas, Callum S. Begg, Chulho Choi, James A. Bull
|2025|J.Org.Chem.|90|10425|doi:10.1021/acs.joc.5c01175
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.cc2n7w0t
title: CCDC 2450426: Experimental Crystal Structure Determination

description: Related Article: Burak Ay, Kosei Sugai, Takayuki Ishida|2026|Inorg.Chim.Acta|589||doi:10.1016/j.ica.2025.122930
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.