cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2fhzwt
title: CCDC 2249697: Experimental Crystal Structure Determination

description: Related Article: Xiaopeng Zhang, Wen-Huang Xu, Wenwei Zheng, Sheng-Qun Su, Yu-Bo Huang, Qirui Shui, Tianchi Ji, Mikoto Uematsu, Qian Chen, Masashi Tokunaga, Kaige Gao, Atsushi Okazawa, Shinji Kanegawa, Shu-Qi Wu, Osamu Sato|2023|J.Am.Chem.Soc.|145|15647|doi:10.1021/jacs.3c02977
description: Related Article: Xiaopeng Zhang, Wen-Huang Xu, Wenwei Zheng, Sheng-Qun Su, Yu-Bo Huang, Qirui Shui, Tianchi Ji, Mikoto Uematsu, Qian Chen, Masashi Tokunaga, Kaige Gao, Atsushi Okazawa, Shinji Kanegawa, Shu-Qi Wu, Osamu Sato|2023|J.Am.Chem.Soc.|145|15647|doi:10.1021/jacs.3c02977
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.cc2fhzyw
title: CSD 2249699: Experimental Crystal Structure Determination

description: Related Article: Rosa Micaela Danisi, Michael Fischer|2023|Eur.J.Inorg.Chem.|26|e202300343|doi:10.1002/ejic.202300343
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.cc2fhzxv
title: CCDC 2249698: Experimental Crystal Structure Determination

description: Related Article: Xiaopeng Zhang, Wen-Huang Xu, Wenwei Zheng, Sheng-Qun Su, Yu-Bo Huang, Qirui Shui, Tianchi Ji, Mikoto Uematsu, Qian Chen, Masashi Tokunaga, Kaige Gao, Atsushi Okazawa, Shinji Kanegawa, Shu-Qi Wu, Osamu Sato|2023|J.Am.Chem.Soc.|145|15647|doi:10.1021/jacs.3c02977
description: Related Article: Xiaopeng Zhang, Wen-Huang Xu, Wenwei Zheng, Sheng-Qun Su, Yu-Bo Huang, Qirui Shui, Tianchi Ji, Mikoto Uematsu, Qian Chen, Masashi Tokunaga, Kaige Gao, Atsushi Okazawa, Shinji Kanegawa, Shu-Qi Wu, Osamu Sato|2023|J.Am.Chem.Soc.|145|15647|doi:10.1021/jacs.3c02977
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.cc2fhzzx
title: CSD 2249700: Experimental Crystal Structure Determination

description: Related Article: Rosa Micaela Danisi, Michael Fischer|2023|Eur.J.Inorg.Chem.|26|e202300343|doi:10.1002/ejic.202300343
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.cc2fj000
title: CCDC 2249701: Experimental Crystal Structure Determination

description: Related Article: Xiaopeng Zhang, Wen-Huang Xu, Wenwei Zheng, Sheng-Qun Su, Yu-Bo Huang, Qirui Shui, Tianchi Ji, Mikoto Uematsu, Qian Chen, Masashi Tokunaga, Kaige Gao, Atsushi Okazawa, Shinji Kanegawa, Shu-Qi Wu, Osamu Sato|2023|J.Am.Chem.Soc.|145|15647|doi:10.1021/jacs.3c02977
description: Related Article: Xiaopeng Zhang, Wen-Huang Xu, Wenwei Zheng, Sheng-Qun Su, Yu-Bo Huang, Qirui Shui, Tianchi Ji, Mikoto Uematsu, Qian Chen, Masashi Tokunaga, Kaige Gao, Atsushi Okazawa, Shinji Kanegawa, Shu-Qi Wu, Osamu Sato|2023|J.Am.Chem.Soc.|145|15647|doi:10.1021/jacs.3c02977
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.cc2fj011
title: CCDC 2249702: Experimental Crystal Structure Determination

description: Related Article: Xiaopeng Zhang, Wen-Huang Xu, Wenwei Zheng, Sheng-Qun Su, Yu-Bo Huang, Qirui Shui, Tianchi Ji, Mikoto Uematsu, Qian Chen, Masashi Tokunaga, Kaige Gao, Atsushi Okazawa, Shinji Kanegawa, Shu-Qi Wu, Osamu Sato|2023|J.Am.Chem.Soc.|145|15647|doi:10.1021/jacs.3c02977
description: Related Article: Xiaopeng Zhang, Wen-Huang Xu, Wenwei Zheng, Sheng-Qun Su, Yu-Bo Huang, Qirui Shui, Tianchi Ji, Mikoto Uematsu, Qian Chen, Masashi Tokunaga, Kaige Gao, Atsushi Okazawa, Shinji Kanegawa, Shu-Qi Wu, Osamu Sato|2023|J.Am.Chem.Soc.|145|15647|doi:10.1021/jacs.3c02977
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.cc2fj033
title: CCDC 2249704: Experimental Crystal Structure Determination

description: Related Article: Xiaopeng Zhang, Wen-Huang Xu, Wenwei Zheng, Sheng-Qun Su, Yu-Bo Huang, Qirui Shui, Tianchi Ji, Mikoto Uematsu, Qian Chen, Masashi Tokunaga, Kaige Gao, Atsushi Okazawa, Shinji Kanegawa, Shu-Qi Wu, Osamu Sato|2023|J.Am.Chem.Soc.|145|15647|doi:10.1021/jacs.3c02977
description: Related Article: Xiaopeng Zhang, Wen-Huang Xu, Wenwei Zheng, Sheng-Qun Su, Yu-Bo Huang, Qirui Shui, Tianchi Ji, Mikoto Uematsu, Qian Chen, Masashi Tokunaga, Kaige Gao, Atsushi Okazawa, Shinji Kanegawa, Shu-Qi Wu, Osamu Sato|2023|J.Am.Chem.Soc.|145|15647|doi:10.1021/jacs.3c02977
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.cc2fj101
title: CCDC 2249732: Experimental Crystal Structure Determination

description: Related Article: Yang Li, Liyan Hu, Xiao-Long Yan, Kai Luo, Jie Zhu, Lei Wu|2024|Chem.Commun.|60|3814|doi:10.1039/D3CC05974J
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.cc2fj167
title: CCDC 2249738: Experimental Crystal Structure Determination

description: Related Article: Qingyun Wan, Nobuto Funakoshi, Mirosław Arczyn ́ski, Masanori Wakizaka, Shraddha Gupta, Masahiro Yamashita|2023|Chemistry|5|987|doi:10.3390/chemistry5020067
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.cc2fj178
title: CCDC 2249739: Experimental Crystal Structure Determination

description: Related Article: Qingyun Wan, Nobuto Funakoshi, Mirosław Arczyn ́ski, Masanori Wakizaka, Shraddha Gupta, Masahiro Yamashita|2023|Chemistry|5|987|doi:10.3390/chemistry5020067
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.cc2fj189
title: CCDC 2249740: Experimental Crystal Structure Determination

description: Related Article: Qingyun Wan, Nobuto Funakoshi, Mirosław Arczyn ́ski, Masanori Wakizaka, Shraddha Gupta, Masahiro Yamashita|2023|Chemistry|5|987|doi:10.3390/chemistry5020067
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.cc2fj19b
title: CCDC 2249741: Experimental Crystal Structure Determination

description: Related Article: Nadia L. Farag, Rajesh B. Jethwa, Alice E. Beardmore, Teresa Insinna, Christopher A. O'Keefe, Peter A. A. Klusener, Clare P. Grey, Dominic S. Wright|2023|ChemSusChem|16||doi:10.1002/cssc.202300128
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.cc2bb1lb
title: CCDC 2154611: Experimental Crystal Structure Determination

description: Related Article: Julie Leseberg, Thaige Gompa, Emily Mikeska, Allen Oliver, Victor Day, Henry La Pierre, James Blakemore|2025|ChemRxiv|||doi:10.26434/chemrxiv-2024-sbzfx
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.cc2fj235
title: CCDC 2249766: Experimental Crystal Structure Determination

description: Related Article: Afsana Mim, Mohammed Enamullah, Imdadul Haque, Abdulrahman Mohabbat, Christoph Janiak|2023|J.Mol.Struct.|1291|135669|doi:10.1016/j.molstruc.2023.135669
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.cc2bb1h7
title: CCDC 2154608: Experimental Crystal Structure Determination

description: Related Article: Julie Leseberg, Thaige Gompa, Emily Mikeska, Allen Oliver, Victor Day, Henry La Pierre, James Blakemore|2025|ChemRxiv|||doi:10.26434/chemrxiv-2024-sbzfx
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.cc2fj246
title: CCDC 2249767: Experimental Crystal Structure Determination

description: Related Article: Afsana Mim, Mohammed Enamullah, Imdadul Haque, Abdulrahman Mohabbat, Christoph Janiak|2023|J.Mol.Struct.|1291|135669|doi:10.1016/j.molstruc.2023.135669
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.cc2fj2sv
title: CCDC 2249787: Experimental Crystal Structure Determination

description: Related Article: Yuxuan Che, Muhammad Rizwan Niazi, Quentin Chan, Pegah Ghamari, Ting Yu, Cory Ruchlin, Han Yu, He Yan, Dongling Ma, Steven S. Xiao, Ricardo Izquierdo, Dmytro F. Perepichka|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202309003
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.cc2fj2tw
title: CCDC 2249788: Experimental Crystal Structure Determination

description: Related Article: Yuxuan Che, Muhammad Rizwan Niazi, Quentin Chan, Pegah Ghamari, Ting Yu, Cory Ruchlin, Han Yu, He Yan, Dongling Ma, Steven S. Xiao, Ricardo Izquierdo, Dmytro F. Perepichka|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202309003
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.cc2fj2vx
title: CCDC 2249789: Experimental Crystal Structure Determination

description: Related Article: Yuxuan Che, Muhammad Rizwan Niazi, Quentin Chan, Pegah Ghamari, Ting Yu, Cory Ruchlin, Han Yu, He Yan, Dongling Ma, Steven S. Xiao, Ricardo Izquierdo, Dmytro F. Perepichka|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202309003
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.cc2fj2xz
title: CCDC 2249791: Experimental Crystal Structure Determination

description: Related Article: Hao Wang, Pengtao Bai, Shuo Wen, Jingjing Wei, Heng Song, Chen Xu|2023|Z.Naturforsch.,B:Chem.Sci.|78|461|doi:10.1515/znb-2023-0018
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.cc2fj2y0
title: CCDC 2249792: Experimental Crystal Structure Determination

description: Related Article: Hao Wang, Pengtao Bai, Shuo Wen, Jingjing Wei, Heng Song, Chen Xu|2023|Z.Naturforsch.,B:Chem.Sci.|78|461|doi:10.1515/znb-2023-0018
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.cc2fj2z1
title: CCDC 2249793: Experimental Crystal Structure Determination

description: Related Article: Fu-An Guo, Kang Zhou, Jiaqi Liu, Hao Wang, Jing Li|2023|Precis. Chem.|1|524|doi:10.1021/prechem.3c00040
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.cc2fj303
title: CCDC 2249794: Experimental Crystal Structure Determination

description: Related Article: Fu-An Guo, Kang Zhou, Jiaqi Liu, Hao Wang, Jing Li|2023|Precis. Chem.|1|524|doi:10.1021/prechem.3c00040
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.cc2fj314
title: CCDC 2249795: Experimental Crystal Structure Determination

description: Related Article: Biyun Su, Qi Zhang, Paison Faida, Dou Yang, Liqin Ding, Boli Hou |2025|Tetrahedron|170|134370|doi:10.1016/j.tet.2024.134370
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.cc2fj336
title: CCDC 2249797: Experimental Crystal Structure Determination

description: Related Article: Biyun Su, Qi Zhang, Paison Faida, Dou Yang, Liqin Ding, Boli Hou |2025|Tetrahedron|170|134370|doi:10.1016/j.tet.2024.134370
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.cc2fj347
title: CCDC 2249798: Experimental Crystal Structure Determination

description: Related Article: Biyun Su, Qi Zhang, Paison Faida, Dou Yang, Liqin Ding, Boli Hou |2025|Tetrahedron|170|134370|doi:10.1016/j.tet.2024.134370
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.cc2fj325
title: CCDC 2249796: Experimental Crystal Structure Determination

description: Related Article: Kazunori Motai, Nao Koishihara, Takuma Narimatsu, Hiroyoshi Ohtsu, Masaki Kawano, Yuki Wada, Kazuki Akisawa, Koji Okuwaki, Takehiko Mori, Ji-Seon Kim, Yuji Mochizuki, Yuhei Hayamizu|2023|Cryst.Growth Des.|23|4556|doi:10.1021/acs.cgd.3c00302
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.cc2fj358
title: CCDC 2249799: Experimental Crystal Structure Determination

description: Related Article: Biyun Su, Qi Zhang, Paison Faida, Dou Yang, Liqin Ding, Boli Hou |2025|Tetrahedron|170|134370|doi:10.1016/j.tet.2024.134370
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.cc2fj369
title: CCDC 2249800: Experimental Crystal Structure Determination

description: Related Article: Biyun Su, Qi Zhang, Paison Faida, Dou Yang, Liqin Ding, Boli Hou |2025|Tetrahedron|170|134370|doi:10.1016/j.tet.2024.134370
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.cc2fj37b
title: CCDC 2249801: Experimental Crystal Structure Determination

description: Related Article: Biyun Su, Qi Zhang, Paison Faida, Dou Yang, Liqin Ding, Boli Hou |2025|Tetrahedron|170|134370|doi:10.1016/j.tet.2024.134370
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.cc2fj38c
title: CCDC 2249802: Experimental Crystal Structure Determination

description: Related Article: Biyun Su, Qi Zhang, Paison Faida, Dou Yang, Liqin Ding, Boli Hou |2025|Tetrahedron|170|134370|doi:10.1016/j.tet.2024.134370
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.cc2fj39d
title: CCDC 2249803: Experimental Crystal Structure Determination

description: Related Article: Biyun Su, Qi Zhang, Paison Faida, Dou Yang, Liqin Ding, Boli Hou |2025|Tetrahedron|170|134370|doi:10.1016/j.tet.2024.134370
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.cc2bb4d7
title: CCDC 2154698: Experimental Crystal Structure Determination

description: Related Article: Jiao Li, Chenyang Zhang, Chuhan Wu, Yan Liu, Xuejian Zhang, Xiao Li, Yongtao Li, Jing Sun, Zhongmin Su|2023|Chin.Chem.Lett.|35|108782|doi:10.1016/j.cclet.2023.108782
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.