cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc1p9wf9
title: CCDC 1558631: Experimental Crystal Structure Determination

description: Related Article: Michelle Hernández-Arganis, Mónica Moya-Cabrera, Vojtech Jancik, Diego Martínez-Otero, Ave María Cotero-Villegas, María del Carmen Pérez-Redondo, Raymundo Cea-Olivares|2017|Inorg.Chim.Acta|475|83|doi:10.1016/j.ica.2017.07.062
description: Related Article: Michelle Hernandez-Arganis, Monica Moya-Cabrera, Vojtech Jancik, Diego Martinez-Otero, Ave Maria Cotero-Villegas, Maria del Carmen Perez-Redondo, Raymundo Cea-Olivares|2018|Inorg.Chim.Acta|475|83|doi:10.1016/j.ica.2017.07.062
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.cc1p9wgb
title: CCDC 1558632: Experimental Crystal Structure Determination

description: Related Article: Michelle Hernández-Arganis, Mónica Moya-Cabrera, Vojtech Jancik, Diego Martínez-Otero, Ave María Cotero-Villegas, María del Carmen Pérez-Redondo, Raymundo Cea-Olivares|2017|Inorg.Chim.Acta|475|83|doi:10.1016/j.ica.2017.07.062
description: Related Article: Michelle Hernandez-Arganis, Monica Moya-Cabrera, Vojtech Jancik, Diego Martinez-Otero, Ave Maria Cotero-Villegas, Maria del Carmen Perez-Redondo, Raymundo Cea-Olivares|2018|Inorg.Chim.Acta|475|83|doi:10.1016/j.ica.2017.07.062
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.cc1p9whc
title: CCDC 1558633: Experimental Crystal Structure Determination

description: Related Article: Michelle Hernández-Arganis, Mónica Moya-Cabrera, Vojtech Jancik, Diego Martínez-Otero, Ave María Cotero-Villegas, María del Carmen Pérez-Redondo, Raymundo Cea-Olivares|2017|Inorg.Chim.Acta|475|83|doi:10.1016/j.ica.2017.07.062
description: Related Article: Michelle Hernandez-Arganis, Monica Moya-Cabrera, Vojtech Jancik, Diego Martinez-Otero, Ave Maria Cotero-Villegas, Maria del Carmen Perez-Redondo, Raymundo Cea-Olivares|2018|Inorg.Chim.Acta|475|83|doi:10.1016/j.ica.2017.07.062
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.cc1p9wjd
title: CCDC 1558634: Experimental Crystal Structure Determination

description: Related Article: Michelle Hernández-Arganis, Mónica Moya-Cabrera, Vojtech Jancik, Diego Martínez-Otero, Ave María Cotero-Villegas, María del Carmen Pérez-Redondo, Raymundo Cea-Olivares|2017|Inorg.Chim.Acta|475|83|doi:10.1016/j.ica.2017.07.062
description: Related Article: Michelle Hernandez-Arganis, Monica Moya-Cabrera, Vojtech Jancik, Diego Martinez-Otero, Ave Maria Cotero-Villegas, Maria del Carmen Perez-Redondo, Raymundo Cea-Olivares|2018|Inorg.Chim.Acta|475|83|doi:10.1016/j.ica.2017.07.062
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.cc1p9wkf
title: CCDC 1558635: Experimental Crystal Structure Determination

description: Related Article: Michelle Hernández-Arganis, Mónica Moya-Cabrera, Vojtech Jancik, Diego Martínez-Otero, Ave María Cotero-Villegas, María del Carmen Pérez-Redondo, Raymundo Cea-Olivares|2017|Inorg.Chim.Acta|475|83|doi:10.1016/j.ica.2017.07.062
description: Related Article: Michelle Hernandez-Arganis, Monica Moya-Cabrera, Vojtech Jancik, Diego Martinez-Otero, Ave Maria Cotero-Villegas, Maria del Carmen Perez-Redondo, Raymundo Cea-Olivares|2018|Inorg.Chim.Acta|475|83|doi:10.1016/j.ica.2017.07.062
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.cc1p9wlg
title: CCDC 1558636: Experimental Crystal Structure Determination

description: Related Article: Michelle Hernández-Arganis, Mónica Moya-Cabrera, Vojtech Jancik, Diego Martínez-Otero, Ave María Cotero-Villegas, María del Carmen Pérez-Redondo, Raymundo Cea-Olivares|2017|Inorg.Chim.Acta|475|83|doi:10.1016/j.ica.2017.07.062
description: Related Article: Michelle Hernandez-Arganis, Monica Moya-Cabrera, Vojtech Jancik, Diego Martinez-Otero, Ave Maria Cotero-Villegas, Maria del Carmen Perez-Redondo, Raymundo Cea-Olivares|2018|Inorg.Chim.Acta|475|83|doi:10.1016/j.ica.2017.07.062
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.cc1p9wmh
title: CCDC 1558637: Experimental Crystal Structure Determination

description: Related Article: Michelle Hernández-Arganis, Mónica Moya-Cabrera, Vojtech Jancik, Diego Martínez-Otero, Ave María Cotero-Villegas, María del Carmen Pérez-Redondo, Raymundo Cea-Olivares|2017|Inorg.Chim.Acta|475|83|doi:10.1016/j.ica.2017.07.062
description: Related Article: Michelle Hernandez-Arganis, Monica Moya-Cabrera, Vojtech Jancik, Diego Martinez-Otero, Ave Maria Cotero-Villegas, Maria del Carmen Perez-Redondo, Raymundo Cea-Olivares|2018|Inorg.Chim.Acta|475|83|doi:10.1016/j.ica.2017.07.062
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.cc1p9ykh
title: CCDC 1558697: Experimental Crystal Structure Determination

description: Related Article: Jinyang Hu, Rui Liu, Shengliang Zhai, Yanan Wu, Haozhe Zhang, Hanting Cheng, Hongjun Zhu|2017|J.Mater.Chem.C|5|11781|doi:10.1039/C7TC03857G
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.cc1xfl31
title: CSD 1770723: Experimental Crystal Structure Determination

description: Related Article: Joern Bruns, Maren Podewitz, Michael Schauperl, Klaus R. Liedl, Oliver Janka, Rainer Poettgen, Hubert Huppertz|2017|Eur.J.Inorg.Chem.|2017|3981|doi:10.1002/ejic.201700360
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.cc1p9ylj
title: CCDC 1558698: Experimental Crystal Structure Determination

description: Related Article: Jinyang Hu, Rui Liu, Shengliang Zhai, Yanan Wu, Haozhe Zhang, Hanting Cheng, Hongjun Zhu|2017|J.Mater.Chem.C|5|11781|doi:10.1039/C7TC03857G
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.cc1xf7dz
title: CSD 1770391: Experimental Crystal Structure Determination

description: Related Article: WÃ Â¶rsching, Matthias, Hoch, Constantin|2015|Inorg.Chem.|54|7058|doi:10.1021/acs.inorgchem.5b01060
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.cc1nvzdw
title: CCDC 1545269: Experimental Crystal Structure Determination

description: Related Article: Meng Liu, Chuming Yin, Peng Chen, Mingtao Zhang, Sean Parkin, Panpan Zhou, Tonglei Li, Faquan Yu, Sihui Long|2017|CrystEngComm|19|4345|doi:10.1039/C7CE00772H
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.cc1p9wql
title: CCDC 1558640: Experimental Crystal Structure Determination

description: Related Article: Ya-Qian Lan, Xue-Li Cao, Shuai-Lei Xie, Shun-Li Li, Long-Zhang Dong, Jiang Liu, Xi-Xi Liu, Wen-Bin Wang, Zhong-Min Su, Wei Guan|2018|Chem.-Eur.J.|24|2365|doi:10.1002/chem.201705758
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.cc1xfg5z
title: CSD 1770601: Experimental Crystal Structure Determination

description: Related Article: V. Pavlyuk, W. Ciesielski, D. Kulawik, W. Prochwicz, B. Rozdzynska-Kielbik|2016|Solid State Sciences|61|24|doi:10.1016/j.solidstatesciences.2016.09.003
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.cc1xffqh
title: CSD 1770587: Experimental Crystal Structure Determination

description: Related Article: Elena L. Belokoneva, Sergey Yu. Stefanovich, Olga V. Dimitrova, Alina S. Karamysheva, Anatoly S. Volkov|2017|Inorg.Chem.|56|1186|doi:10.1021/acs.inorgchem.6b02191
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.cc1xffwn
title: CSD 1770592: Experimental Crystal Structure Determination

description: Related Article: M. Piasecki, G.L. Myronchuk, O.V. Parasyuk, O.Y. Khyzhun, A.O. Fedorchuk, V.V. Pavlyuk, V.R. Kozer, V.P. Sachanyuk, A.M. El-Naggar, A.A. Albassam, J. Jedryka, I.V. Kityk|2017|J.Solid State Chem.|246|363|doi:10.1016/j.jssc.2016.12.011
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.cc1nvzgy
title: CCDC 1545271: Experimental Crystal Structure Determination

description: Related Article: Meng Liu, Chuming Yin, Peng Chen, Mingtao Zhang, Sean Parkin, Panpan Zhou, Tonglei Li, Faquan Yu, Sihui Long|2017|CrystEngComm|19|4345|doi:10.1039/C7CE00772H
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.cc1xfdwm
title: CSD 1770561: Experimental Crystal Structure Determination

description: Related Article: A.P. Topnikova, E.L. Belokoneva, O.V. Dimitrova, A.S. Volkov|2016|Crystallogr.Rep.|61|940|doi:10.1134/S1063774516060171
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.cc1xflqn
title: CSD 1770742: Experimental Crystal Structure Determination

description: Related Article: E.L.Belokoneva, A.S.Karamysheva, O.V.Dimitrova, A.S.Volkov|2018|Kristallografiya|63|52|doi:10.1134/S1063774518010029
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.cc1p9wrm
title: CCDC 1558641: Experimental Crystal Structure Determination

description: Related Article: Xian-Sheng Ke,  Taeyeon Kim,  Vincent M. Lynch,  Dongho Kim,  and Jonathan L. Sessler|2017|J.Am.Chem.Soc.|139|13950|doi:10.1021/jacs.7b08611
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.cc1p9wsn
title: CCDC 1558642: Experimental Crystal Structure Determination

description: Related Article: Xian-Sheng Ke,  Taeyeon Kim,  Vincent M. Lynch,  Dongho Kim,  and Jonathan L. Sessler|2017|J.Am.Chem.Soc.|139|13950|doi:10.1021/jacs.7b08611
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.cc1p9wtp
title: CCDC 1558643: Experimental Crystal Structure Determination

description: Related Article: Xian-Sheng Ke,  Taeyeon Kim,  Vincent M. Lynch,  Dongho Kim,  and Jonathan L. Sessler|2017|J.Am.Chem.Soc.|139|13950|doi:10.1021/jacs.7b08611
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.cc1m3j9k
title: CCDC 1492938: Experimental Crystal Structure Determination

description: Related Article: Lei-Jiao Li, Fu-Xing Pan, Feng-Yu Li, Zhong-Fang Chen, Zhong-Ming Sun|2017|Inorg.Chem.Front.|4|1393|doi:10.1039/C7QI00209B
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.cc1p9wwr
title: CCDC 1558645: Experimental Crystal Structure Determination

description: Related Article: Xian-Sheng Ke,  Yongseok Hong,  Peiyu Tu,  Qing He,  Vincent M. Lynch,  Dongho Kim,  Jonathan L. Sessler|2017|J.Am.Chem.Soc.|139|15232|doi:10.1021/jacs.7b09167
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.cc1p9wyt
title: CCDC 1558647: Experimental Crystal Structure Determination

description: Related Article: Xian-Sheng Ke,  Yongseok Hong,  Peiyu Tu,  Qing He,  Vincent M. Lynch,  Dongho Kim,  Jonathan L. Sessler|2017|J.Am.Chem.Soc.|139|15232|doi:10.1021/jacs.7b09167
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: 10.5281/zenodo.17435905
title: Data for High Average-Flux Laser-Driven Neutron Source

description: This dataset contains the numerical results obtained from experiments and simulations associated with the study:

           High Average-Flux Laser-Driven Neutron Source (Vallières et al., 2025)

The simulations were performed using the Geant4 while other data were obtained from experimental results. The data correspond to the figures and results presented in the article, including:





Raw output data




Post-processed quantities



All datasets are in standard CSV and DAT format for ease of reuse.
DOI: 10.5517/ccdc.csd.cc1nvzhz
title: CCDC 1545272: Experimental Crystal Structure Determination

description: Related Article: Meng Liu, Chuming Yin, Peng Chen, Mingtao Zhang, Sean Parkin, Panpan Zhou, Tonglei Li, Faquan Yu, Sihui Long|2017|CrystEngComm|19|4345|doi:10.1039/C7CE00772H
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.cc1p9x2z
title: CCDC 1558651: Experimental Crystal Structure Determination

description: Related Article: Yinsong Zhao, Chuangui Yu, Tianbao Wang, Zhijie She, Xuesong Zheng, Jingsong You, Ge Gao|2018|Org.Lett.|20|1074|doi:10.1021/acs.orglett.7b04042
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.cc1p9x30
title: CCDC 1558652: Experimental Crystal Structure Determination

description: Related Article: Mohammad Imran Ahmad, Shivani Dixit, Rituraj Konwar, Prema G. Vasdev, Akhilesh Kumar Yadav, Shubhandra Tripathi, Madan Mohan Gupta, Ashok Sharma, Atul Gupta|2017|Bioorg.Med.Chem.Lett.|27|5040|doi:10.1016/j.bmcl.2017.09.060
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.cc1p9x52
title: CCDC 1558654: Experimental Crystal Structure Determination

description: Related Article: Ming-Lun Pan,  Yao-Ting Wu|2020|Synlett|31|97|doi:10.1055/s-0039-1690750 
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.cc1p9x63
title: CCDC 1558655: Experimental Crystal Structure Determination

description: Related Article: Yao-Ting Wu, Sheng-Li Wang, Ming-Lun Pan, Wei-Siang Su|2017|Angew.Chem.,Int.Ed.|56|14694|doi:10.1002/anie.201708892
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.cc1p9x74
title: CCDC 1558656: Experimental Crystal Structure Determination

description: Related Article: Yao-Ting Wu, Sheng-Li Wang, Ming-Lun Pan, Wei-Siang Su|2017|Angew.Chem.,Int.Ed.|56|14694|doi:10.1002/anie.201708892
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.cc1p9z87
title: CCDC 1558719: Experimental Crystal Structure Determination

description: Related Article: Hong-yan Lin,  Ge Song,  Yuan Tian,  Jia-feng Lin,  Xiang Wang,  Guo-cheng Liu|2018|Transition Met.Chem.|43|185|doi:10.1007/s11243-018-0206-8
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.