cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2jtsgm
title: CCDC 2348481: Experimental Crystal Structure Determination

description: Related Article: Yongfa Xie, Can Zou, Jingjing Zheng, Teng-Fei Li, Zi-Li Pang, Yong-Qi Wang, Hu Cai|2025|J.Mol.Struct.|1319|139464|doi:10.1016/j.molstruc.2024.139464
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.cc2jtshn
title: CCDC 2348482: Experimental Crystal Structure Determination

description: Related Article: Yongfa Xie, Can Zou, Jingjing Zheng, Teng-Fei Li, Zi-Li Pang, Yong-Qi Wang, Hu Cai|2025|J.Mol.Struct.|1319|139464|doi:10.1016/j.molstruc.2024.139464
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.cc2jtsjp
title: CCDC 2348483: Experimental Crystal Structure Determination

description: Related Article: Yongfa Xie, Can Zou, Jingjing Zheng, Teng-Fei Li, Zi-Li Pang, Yong-Qi Wang, Hu Cai|2025|J.Mol.Struct.|1319|139464|doi:10.1016/j.molstruc.2024.139464
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.cc2jtsnt
title: CCDC 2348487: Experimental Crystal Structure Determination

description: Related Article: Carlos Lázaro-Milla, Eduardo da Concepción, Israel Fernández, José L. Mascareñas, Fernando López|2024|ACS Catalysis|14|11574|doi:10.1021/acscatal.4c03080
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.cc2jtt28
title: CCDC 2348500: Experimental Crystal Structure Determination

description: Related Article: Paula Fraňová, Peter Šafář, Ján Moncoľ, Ivana Žídeková, Adam Daïch, Štefan Marchalín|2025|Eur.J.Org.Chem.|28||doi:10.1002/ejoc.202401219
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.cc2jtt39
title: CCDC 2348501: Experimental Crystal Structure Determination

description: Related Article: Paula Fraňová, Peter Šafář, Ján Moncoľ, Ivana Žídeková, Adam Daïch, Štefan Marchalín|2025|Eur.J.Org.Chem.|28||doi:10.1002/ejoc.202401219
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.cc2jtt4b
title: CCDC 2348502: Experimental Crystal Structure Determination

description: Related Article: Paula Fraňová, Peter Šafář, Ján Moncoľ, Ivana Žídeková, Adam Daïch, Štefan Marchalín|2025|Eur.J.Org.Chem.|28||doi:10.1002/ejoc.202401219
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.cc2jtt5c
title: CCDC 2348503: Experimental Crystal Structure Determination

description: Related Article: Paula Fraňová, Peter Šafář, Ján Moncoľ, Ivana Žídeková, Adam Daïch, Štefan Marchalín|2025|Eur.J.Org.Chem.|28||doi:10.1002/ejoc.202401219
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.cc2jttmt
title: CCDC 2348517: Experimental Crystal Structure Determination

description: Related Article: Xiaowu Fang, Longlong Xi, Minyan Wang, Jieshuai Xiao, Yue Zhao, Michael C. Willis, Zhuangzhi Shi |2025|Nat.Commun.|16|2547|doi:10.1038/s41467-025-57471-9
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.cc2jttpw
title: CCDC 2348519: Experimental Crystal Structure Determination

description: Related Article: Xiaowu Fang, Longlong Xi, Minyan Wang, Jieshuai Xiao, Yue Zhao, Michael C. Willis, Zhuangzhi Shi |2025|Nat.Commun.|16|2547|doi:10.1038/s41467-025-57471-9
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.cc2jttqx
title: CCDC 2348520: Experimental Crystal Structure Determination

description: Related Article: Xiaowu Fang, Longlong Xi, Minyan Wang, Jieshuai Xiao, Yue Zhao, Michael C. Willis, Zhuangzhi Shi |2025|Nat.Commun.|16|2547|doi:10.1038/s41467-025-57471-9
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.cc2jttry
title: CCDC 2348521: Experimental Crystal Structure Determination

description: Related Article: Xiao-Xia Wang, Lei Jiao|2024|J.Am.Chem.Soc.|146|25552|doi:10.1021/jacs.4c06544
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.cc2jtv7g
title: CCDC 2348536: Experimental Crystal Structure Determination

description: Related Article: Shao-Peng Yan, Zhi-Yu Zhu, Qi-Ke Jia, Rui-Ying Ji, Ya-Pin Wang, Dan He, Rong Wang, Xiao-Jun Xu, Yang Zhou|2024|Acta Chim.Slov.|71|509|doi:10.17344/acsi.2024.8784
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.cc2jtvmv
title: CCDC 2348548: Experimental Crystal Structure Determination

description: Related Article: Violeta Jevtovic,  Aleksandra Rakić,  Jelena M. Živković,  Aljazi Abdullah Alrashidi,  Maha Awjan Alreshidi,  Elham A. Alzahrani,  Odeh A. O. Alshammari,  Sahar Y. Rajeh,  Mostafa A. Hussien,  Dušan Dimić|2024|Crystals|14|1106|doi:10.3390/cryst14121106
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.cc2jtxhs
title: CCDC 2348606: Experimental Crystal Structure Determination

description: Related Article: Leonã  S. Flores|2024|CSD Communication|||
description: Related Article: Isabella F. S. Marra, Larissa P. Silva, Pedro P. De Castro, Leonã S. Flores, Kleber T. De Oliveira, Paulo E. N. De Souza, Brenno A. D. Neto, Hélio F. Dos Santos, Giovanni W. Amarante|2024|Asian J.Org.Chem|13|e202400271|doi:10.1002/ajoc.202400271
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.cc2jtvqy
title: CCDC 2348551: Experimental Crystal Structure Determination

description: Related Article: Violeta Jevtovic,  Luka Golubović,  Odeh A. O. Alshammari,  Munirah Sulaiman Alhar,  Tahani Y. A. Alanazi,  Aleksandra Radulović,  Đura Nakarada,  Jasmina Dimitrić Marković,  Aleksandra Rakić,  Dušan Dimić|2024|Inorganics|12|280|doi:10.3390/inorganics12110280
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.cc2jtvrz
title: CCDC 2348552: Experimental Crystal Structure Determination

description: Related Article: Lu, Yu-Lin, Wu, Kai, Huang, Yin-Hui, Li, Wei-Chun, Cao, Zhong-Min, Yan, Xiang-Han, Zhang, Xiao-Dong, Liu, Chen-Hui, Ruan, Jia, Xu, Hai-Sen, Pan, Mei, Su, Cheng-Yong|2024|J.Am.Chem.Soc.|146|20414|doi:10.1021/jacs.4c06102
description: Related Article: Yu-Lin Lu, Kai Wu, Yin-Hui Huang, Wei-Chun Li, Zhong-Min Cao, Xiang-Han Yan, Xiao-Dong Zhang, Chen-Hui Liu, Jia Ruan, Hai-Sen Xu, Mei Pan, Cheng-Yong Su|2024|J.Am.Chem.Soc.|146|20414|doi:10.1021/jacs.4c06102
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.cc2jtvs0
title: CCDC 2348553: Experimental Crystal Structure Determination

description: Related Article: Xiao Chen, Gao-Xiang Wang, Ze-Jie Lv, Junnian Wei, Zhenfeng Xi|2024|J.Am.Chem.Soc.|146|17624|doi:10.1021/jacs.4c05492
description: Related Article: Xiao Chen, Gao-Xiang Wang, Ze-Jie Lv, Junnian Wei, Zhenfeng Xi|2024|J.Am.Chem.Soc.|146|17624|doi:10.1021/jacs.4c05492
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.cc2jtvt1
title: CCDC 2348554: Experimental Crystal Structure Determination

description: Related Article: Xiao Chen, Gao-Xiang Wang, Ze-Jie Lv, Junnian Wei, Zhenfeng Xi|2024|J.Am.Chem.Soc.|146|17624|doi:10.1021/jacs.4c05492
description: Related Article: Xiao Chen, Gao-Xiang Wang, Ze-Jie Lv, Junnian Wei, Zhenfeng Xi|2024|J.Am.Chem.Soc.|146|17624|doi:10.1021/jacs.4c05492
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.cc2jtvv2
title: CCDC 2348555: Experimental Crystal Structure Determination

description: Related Article: Xiao Chen, Gao-Xiang Wang, Ze-Jie Lv, Junnian Wei, Zhenfeng Xi|2024|J.Am.Chem.Soc.|146|17624|doi:10.1021/jacs.4c05492
description: Related Article: Xiao Chen, Gao-Xiang Wang, Ze-Jie Lv, Junnian Wei, Zhenfeng Xi|2024|J.Am.Chem.Soc.|146|17624|doi:10.1021/jacs.4c05492
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.cc2jtvw3
title: CCDC 2348556: Experimental Crystal Structure Determination

description: Related Article: Xiao Chen, Gao-Xiang Wang, Ze-Jie Lv, Junnian Wei, Zhenfeng Xi|2024|J.Am.Chem.Soc.|146|17624|doi:10.1021/jacs.4c05492
description: Related Article: Xiao Chen, Gao-Xiang Wang, Ze-Jie Lv, Junnian Wei, Zhenfeng Xi|2024|J.Am.Chem.Soc.|146|17624|doi:10.1021/jacs.4c05492
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.cc2jtvx4
title: CCDC 2348557: Experimental Crystal Structure Determination

description: Related Article: Xiao Chen, Gao-Xiang Wang, Ze-Jie Lv, Junnian Wei, Zhenfeng Xi|2024|J.Am.Chem.Soc.|146|17624|doi:10.1021/jacs.4c05492
description: Related Article: Xiao Chen, Gao-Xiang Wang, Ze-Jie Lv, Junnian Wei, Zhenfeng Xi|2024|J.Am.Chem.Soc.|146|17624|doi:10.1021/jacs.4c05492
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.cc2jtvy5
title: CCDC 2348558: Experimental Crystal Structure Determination

description: Related Article: Xiao Chen, Gao-Xiang Wang, Ze-Jie Lv, Junnian Wei, Zhenfeng Xi|2024|J.Am.Chem.Soc.|146|17624|doi:10.1021/jacs.4c05492
description: Related Article: Xiao Chen, Gao-Xiang Wang, Ze-Jie Lv, Junnian Wei, Zhenfeng Xi|2024|J.Am.Chem.Soc.|146|17624|doi:10.1021/jacs.4c05492
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.cc2jtw2b
title: CCDC 2348562: Experimental Crystal Structure Determination

description: Related Article: V. P. Shtefanets, A. N. Utenyshev, V. A. Lazarenko, G. V. Shilov, A. I. Dmitriev, M. V. Zhidkov, N. A. Sanina, S. M. Aldoshin|2025|J.Mol.Struct.|1327|141172|doi:10.1016/j.molstruc.2024.141172
description: Related Article: V. P. Stefanets,  N. A. Sanina,  G. V. Shilov,  A. I. Dmitriev,  M. V. Zhidkov,  S. M. Aldoshin|2024|Izv.Akad.Nauk SSSR,Ser.Khim.|73|2228|doi:10.1007/s11172-024-4344-1
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.cc2jtwgq
title: CCDC 2348574: Experimental Crystal Structure Determination

description: Related Article: Xiaofan Yang, Linjia Chen, Dong Fang, Yaoyang Liu, Shihui Wang, Lei Xu, Anyun Zhang, Jing Su, Chao Xu, Chengliang Xiao|2025|Ind.Eng.Chem.Res.|64|6692|doi:10.1021/acs.iecr.5c00149
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.cc2jtwhr
title: CCDC 2348575: Experimental Crystal Structure Determination

description: Related Article: Xiaofan Yang, Linjia Chen, Dong Fang, Yaoyang Liu, Shihui Wang, Lei Xu, Anyun Zhang, Jing Su, Chao Xu, Chengliang Xiao|2025|Ind.Eng.Chem.Res.|64|6692|doi:10.1021/acs.iecr.5c00149
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.cc2jtwv3
title: CCDC 2348586: Experimental Crystal Structure Determination

description: Related Article: Baiyun Dai, Yongzhou Pan, Xu Wang, Jinping Fu, Haitao Tang, Yi Yi, Yingming Pan|2025|Adv.Synth.Catal.|367|e202400851|doi:10.1002/adsc.202400851
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.cc2jtxs2
title: CCDC 2348615: Experimental Crystal Structure Determination

description: Related Article: Xiaofan Yang,  Lei Xu,  Shihui Wang,  Dong Fang,  Anyun Zhang,  Chengliang Xiao|2025|Sep.Purif.Technol.|354|128802|doi:10.1016/j.seppur.2024.128802
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.cc2jtxt3
title: CCDC 2348616: Experimental Crystal Structure Determination

description: Related Article: Xiaofan Yang,  Lei Xu,  Shihui Wang,  Dong Fang,  Anyun Zhang,  Chengliang Xiao|2025|Sep.Purif.Technol.|354|128802|doi:10.1016/j.seppur.2024.128802
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.cc2jtxv4
title: CCDC 2348617: Experimental Crystal Structure Determination

description: Related Article: Xiaofan Yang,  Lei Xu,  Shihui Wang,  Dong Fang,  Anyun Zhang,  Chengliang Xiao|2025|Sep.Purif.Technol.|354|128802|doi:10.1016/j.seppur.2024.128802
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.cc2jtxw5
title: CCDC 2348618: Experimental Crystal Structure Determination

description: Related Article: Xiaofan Yang,  Lei Xu,  Shihui Wang,  Dong Fang,  Anyun Zhang,  Chengliang Xiao|2025|Sep.Purif.Technol.|354|128802|doi:10.1016/j.seppur.2024.128802
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.cc2jtxx6
title: CCDC 2348619: Experimental Crystal Structure Determination

description: Related Article: Xiaofan Yang,  Lei Xu,  Shihui Wang,  Dong Fang,  Anyun Zhang,  Chengliang Xiao|2025|Sep.Purif.Technol.|354|128802|doi:10.1016/j.seppur.2024.128802
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.cc2jtxy7
title: CCDC 2348620: Experimental Crystal Structure Determination

description: Related Article: Xiaofan Yang,  Lei Xu,  Shihui Wang,  Dong Fang,  Anyun Zhang,  Chengliang Xiao|2025|Sep.Purif.Technol.|354|128802|doi:10.1016/j.seppur.2024.128802
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.cc2jtx1b
title: CCDC 2348592: Experimental Crystal Structure Determination

description: Related Article: Ahmed B. M. Ibrahim, Peter Mayer, Safaa M. Abbas|2024|Appl.Organomet.Chem.|38|e7620|doi:10.1002/aoc.7620
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.