cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2fmgq8
title: CCDC 2253040: Experimental Crystal Structure Determination

description: Related Article: Hiroyuki Tanaka, Yoshiyuki Mizuhata, Norihiro Tokitoh, Riichi Miyamoto, Kazuyoshi Kanamori, Hironori Kaji|2023|J.Phys.Chem.C|127|v|doi:10.1021/acs.jpcc.3c03459
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.cc2fmgxg
title: CSD 2253046: Experimental Crystal Structure Determination

description: Related Article: Lu Qi, Xingxing Jiang, Kaining Duanmu, Chao Wu, Zheshuai Lin, Zhipeng Huang, Mark G. Humphrey, Chi Zhang|2023|Angew.Chem.,Int.Ed.|62|e202309365|
description: Related Article: Lu Qi, Xingxing Jiang, Kaining Duanmu, Chao Wu, Zheshuai Lin, Zhipeng Huang, Mark G. Humphrey, Chi Zhang|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202309365
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.cc2fmgyh
title: CSD 2253047: Experimental Crystal Structure Determination

description: Related Article: Lu Qi, Xingxing Jiang, Kaining Duanmu, Chao Wu, Zheshuai Lin, Zhipeng Huang, Mark G. Humphrey, Chi Zhang|2023|Angew.Chem.,Int.Ed.|62|e202309365|
description: Related Article: Lu Qi, Xingxing Jiang, Kaining Duanmu, Chao Wu, Zheshuai Lin, Zhipeng Huang, Mark G. Humphrey, Chi Zhang|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202309365
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.cc2fmgzj
title: CCDC 2253048: Experimental Crystal Structure Determination

description: Related Article: Alexander A. Kirichok, Hennadii Tkachuk, Yevhenii Kozyriev, Oleh Shablykin, Oleksandr Datsenko, Dmitry Granat, Tetyana Yegorova, Yuliya P. Bas, Vitalii Semirenko, Iryna Pishel, Vladimir Kubyshkin, Dmytro Lesyk, Oleksii Klymenko-Ulianov, Pavel K. Mykhailiuk|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202311583
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.cc2fmh0l
title: CCDC 2253049: Experimental Crystal Structure Determination

description: Related Article: Alexander A. Kirichok, Hennadii Tkachuk, Yevhenii Kozyriev, Oleh Shablykin, Oleksandr Datsenko, Dmitry Granat, Tetyana Yegorova, Yuliya P. Bas, Vitalii Semirenko, Iryna Pishel, Vladimir Kubyshkin, Dmytro Lesyk, Oleksii Klymenko-Ulianov, Pavel K. Mykhailiuk|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202311583
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.cc2fmh1m
title: CCDC 2253050: Experimental Crystal Structure Determination

description: Related Article: Alexander A. Kirichok, Hennadii Tkachuk, Yevhenii Kozyriev, Oleh Shablykin, Oleksandr Datsenko, Dmitry Granat, Tetyana Yegorova, Yuliya P. Bas, Vitalii Semirenko, Iryna Pishel, Vladimir Kubyshkin, Dmytro Lesyk, Oleksii Klymenko-Ulianov, Pavel K. Mykhailiuk|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202311583
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.cc2fmh2n
title: CCDC 2253051: Experimental Crystal Structure Determination

description: Related Article: Alexander A. Kirichok, Hennadii Tkachuk, Yevhenii Kozyriev, Oleh Shablykin, Oleksandr Datsenko, Dmitry Granat, Tetyana Yegorova, Yuliya P. Bas, Vitalii Semirenko, Iryna Pishel, Vladimir Kubyshkin, Dmytro Lesyk, Oleksii Klymenko-Ulianov, Pavel K. Mykhailiuk|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202311583
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.cc2fmh3p
title: CCDC 2253052: Experimental Crystal Structure Determination

description: Related Article: Alexander A. Kirichok, Hennadii Tkachuk, Yevhenii Kozyriev, Oleh Shablykin, Oleksandr Datsenko, Dmitry Granat, Tetyana Yegorova, Yuliya P. Bas, Vitalii Semirenko, Iryna Pishel, Vladimir Kubyshkin, Dmytro Lesyk, Oleksii Klymenko-Ulianov, Pavel K. Mykhailiuk|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202311583
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.cc2fmh4q
title: CCDC 2253053: Experimental Crystal Structure Determination

description: Related Article: Alexander A. Kirichok, Hennadii Tkachuk, Yevhenii Kozyriev, Oleh Shablykin, Oleksandr Datsenko, Dmitry Granat, Tetyana Yegorova, Yuliya P. Bas, Vitalii Semirenko, Iryna Pishel, Vladimir Kubyshkin, Dmytro Lesyk, Oleksii Klymenko-Ulianov, Pavel K. Mykhailiuk|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202311583
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.cc2fmh5r
title: CCDC 2253054: Experimental Crystal Structure Determination

description: Related Article: Alexander A. Kirichok, Hennadii Tkachuk, Yevhenii Kozyriev, Oleh Shablykin, Oleksandr Datsenko, Dmitry Granat, Tetyana Yegorova, Yuliya P. Bas, Vitalii Semirenko, Iryna Pishel, Vladimir Kubyshkin, Dmytro Lesyk, Oleksii Klymenko-Ulianov, Pavel K. Mykhailiuk|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202311583
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.cc2fmh6s
title: CCDC 2253055: Experimental Crystal Structure Determination

description: Related Article: Alexander A. Kirichok, Hennadii Tkachuk, Yevhenii Kozyriev, Oleh Shablykin, Oleksandr Datsenko, Dmitry Granat, Tetyana Yegorova, Yuliya P. Bas, Vitalii Semirenko, Iryna Pishel, Vladimir Kubyshkin, Dmytro Lesyk, Oleksii Klymenko-Ulianov, Pavel K. Mykhailiuk|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202311583
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.cc2fmh7t
title: CCDC 2253056: Experimental Crystal Structure Determination

description: Related Article: Alexander A. Kirichok, Hennadii Tkachuk, Yevhenii Kozyriev, Oleh Shablykin, Oleksandr Datsenko, Dmitry Granat, Tetyana Yegorova, Yuliya P. Bas, Vitalii Semirenko, Iryna Pishel, Vladimir Kubyshkin, Dmytro Lesyk, Oleksii Klymenko-Ulianov, Pavel K. Mykhailiuk|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202311583
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.cc2fmh8v
title: CCDC 2253057: Experimental Crystal Structure Determination

description: Related Article: Alexander A. Kirichok, Hennadii Tkachuk, Yevhenii Kozyriev, Oleh Shablykin, Oleksandr Datsenko, Dmitry Granat, Tetyana Yegorova, Yuliya P. Bas, Vitalii Semirenko, Iryna Pishel, Vladimir Kubyshkin, Dmytro Lesyk, Oleksii Klymenko-Ulianov, Pavel K. Mykhailiuk|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202311583
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.cc2fmhg1
title: CCDC 2253063: Experimental Crystal Structure Determination

description: Related Article: Shengbo Xu, Fen Wang, Xingwei Li|2024|ACS Catalysis|14|17453|doi:10.1021/acscatal.4c05675
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.cc2fmhl5
title: CCDC 2253067: Experimental Crystal Structure Determination

description: Related Article: V. Graur, I. Usataia, Ia. Graur, O. Garbuz, P. Bourosh, V. Kravtsov, C. Lozan-Tirsu, G. Balan, V. Fala, A. Gulea|2023|Inorganics|11|195|doi:10.3390/inorganics11050195
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.cc2fmhm6
title: CCDC 2253068: Experimental Crystal Structure Determination

description: Related Article: V. Graur, I. Usataia, Ia. Graur, O. Garbuz, P. Bourosh, V. Kravtsov, C. Lozan-Tirsu, G. Balan, V. Fala, A. Gulea|2023|Inorganics|11|195|doi:10.3390/inorganics11050195
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.cc2fmhvf
title: CCDC 2253075: Experimental Crystal Structure Determination

description: Related Article: Petra Dunkel, Dóra Bogdán, Ruth Deme, Ádám Zimber, Eszter Csizmadia, Bence Kontra, Attila Benyei, Péter Mátyus, Zoltán Mucsi|2024|RSC Advances|14|16784|doi:10.1039/d3ra08974f
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.cc2fmhwg
title: CCDC 2253076: Experimental Crystal Structure Determination

description: Related Article: Petra Dunkel, Dóra Bogdán, Ruth Deme, Ádám Zimber, Eszter Csizmadia, Bence Kontra, Attila Benyei, Péter Mátyus, Zoltán Mucsi|2024|RSC Advances|14|16784|doi:10.1039/d3ra08974f
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.cc2fmhxh
title: CCDC 2253077: Experimental Crystal Structure Determination

description: Related Article: Zili Ren, Min Lv, Huqi Liu, Houpeng Wen, Yuling Zhang, Hui Xu|2023|J.Agric.Food Chem.|71|18301|doi:10.1021/acs.jafc.3c02213
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.cc2fmhyj
title: CCDC 2253078: Experimental Crystal Structure Determination

description: Related Article: Zili Ren, Min Lv, Huqi Liu, Houpeng Wen, Yuling Zhang, Hui Xu|2023|J.Agric.Food Chem.|71|18301|doi:10.1021/acs.jafc.3c02213
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.cc2fmhzk
title: CCDC 2253079: Experimental Crystal Structure Determination

description: Related Article: Zili Ren, Min Lv, Huqi Liu, Houpeng Wen, Yuling Zhang, Hui Xu|2023|J.Agric.Food Chem.|71|18301|doi:10.1021/acs.jafc.3c02213
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.cc2fmj0m
title: CCDC 2253080: Experimental Crystal Structure Determination

description: Related Article: Zili Ren, Min Lv, Huqi Liu, Houpeng Wen, Yuling Zhang, Hui Xu|2023|J.Agric.Food Chem.|71|18301|doi:10.1021/acs.jafc.3c02213
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.cc2fmjm7
title: CCDC 2253099: Experimental Crystal Structure Determination

description: Related Article: Mohamed S. Bekheit, Siva S. Panda, Benson M. Kariuki, Sara H. Mahmoud, Ahmed Mostafa, Adel S. Girgis|2023|Eur.J.Med.Chem.|258|115563|doi:10.1016/j.ejmech.2023.115563
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.cc2fmjn8
title: CCDC 2253100: Experimental Crystal Structure Determination

description: Related Article: Mohamed S. Bekheit, Siva S. Panda, Benson M. Kariuki, Sara H. Mahmoud, Ahmed Mostafa, Adel S. Girgis|2023|Eur.J.Med.Chem.|258|115563|doi:10.1016/j.ejmech.2023.115563
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.cc2fmjp9
title: CCDC 2253101: Experimental Crystal Structure Determination

description: Related Article: Mohamed S. Bekheit, Siva S. Panda, Benson M. Kariuki, Sara H. Mahmoud, Ahmed Mostafa, Adel S. Girgis|2023|Eur.J.Med.Chem.|258|115563|doi:10.1016/j.ejmech.2023.115563
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.cc2fmk1p
title: CCDC 2253112: Experimental Crystal Structure Determination

description: Related Article: Ruinan Zhao, Shuang Deng, Rongkang Huang, Han-Han Kong, Yuepeng Lu, Tingrui Yin, Jiaqiang Wang, Ying Li, Cuiju Zhu, Fangfang Pan, Xiaotian Qi, Hao Xu|2024|ACS Catalysis|14|9254|doi:10.1021/acscatal.4c01756
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.cc2f6m9l
title: CCDC 2240689: Experimental Crystal Structure Determination

description: Related Article: Ulyana M. Aristova, Anna V. Vologzhanina, Andrey K. Shiryaev|2023|Chemistry of Heterocyclic Compounds|59|698|doi:10.1007/s10593-023-03256-1
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.cc2fmk4s
title: CCDC 2253115: Experimental Crystal Structure Determination

description: Related Article: Tan Liu,  Guiyang Wang,  Jiahui Yu,  Mengyuan Li,  Tianbo Peng,  Jie Wang,  Houhua Li,  Xiao-dong Su,  Changtao Jiang,  Min Ye,  Donghui Yang,  Ming Ma|2025|Nature Chemistry|17|1107|doi:10.1038/s41557-025-01822-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.cc2f6m8k
title: CCDC 2240688: Experimental Crystal Structure Determination

description: Related Article: Ulyana M. Aristova, Anna V. Vologzhanina, Andrey K. Shiryaev|2023|Chemistry of Heterocyclic Compounds|59|698|doi:10.1007/s10593-023-03256-1
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.cc2fmk7w
title: CCDC 2253118: Experimental Crystal Structure Determination

description: Related Article: Elizaveta A. Kuznetsova, Regina R. Rysaeva, Andrey V. Smolobochkin, Almir S. Gazizov, Tatyana P. Gerasimova, Daria P. Gerasimova, Olga A. Lodochnikova, Vladimir I. Morozov, Sergey Z. Vatsadze, Alexander R. Burilov, Michail A. Pudovik|2024|Org.Lett.|26|4323|doi:10.1021/acs.orglett.4c01305
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.cc2fmk8x
title: CCDC 2253119: Experimental Crystal Structure Determination

description: Related Article: Elizaveta A. Kuznetsova, Regina R. Rysaeva, Andrey V. Smolobochkin, Almir S. Gazizov, Tatyana P. Gerasimova, Daria P. Gerasimova, Olga A. Lodochnikova, Vladimir I. Morozov, Sergey Z. Vatsadze, Alexander R. Burilov, Michail A. Pudovik|2024|Org.Lett.|26|4323|doi:10.1021/acs.orglett.4c01305
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.cc2fmk9y
title: CCDC 2253120: Experimental Crystal Structure Determination

description: Related Article: Elizaveta A. Kuznetsova, Regina R. Rysaeva, Andrey V. Smolobochkin, Almir S. Gazizov, Tatyana P. Gerasimova, Daria P. Gerasimova, Olga A. Lodochnikova, Vladimir I. Morozov, Sergey Z. Vatsadze, Alexander R. Burilov, Michail A. Pudovik|2024|Org.Lett.|26|4323|doi:10.1021/acs.orglett.4c01305
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.