cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2gxt3b
title: CCDC 2291802: Experimental Crystal Structure Determination

description: Related Article: Julian Spils, Lucien D. Caspers, Pim Puylaert, Boris J. Nachtsheim|2024|Org.Chem.Front.|11|2800|doi:10.1039/D4QO00220B
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: 10.25549/whittington-ouc1sto919949
title: Dick Whittington Photography Collection, 1924-1987
DOI: 10.5517/ccdc.csd.cc2h3w1k
title: CCDC 2297628: Experimental Crystal Structure Determination

description: Related Article: Hadrien Flichot, Annika Sickinger, Jules Brom, Bertrand Lefeuvre, Vincent Dorcet, Thierry Guizouarn, Olivier Cador, Boris Le Guennic, Laurent Micouin, Olivier Maury, Erica Benedetti, Fabrice Pointillart|2024|Dalton Trans.|53|8191|doi:10.1039/D4DT00536H
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.cc2h3w2l
title: CCDC 2297629: Experimental Crystal Structure Determination

description: Related Article: Hadrien Flichot, Annika Sickinger, Jules Brom, Bertrand Lefeuvre, Vincent Dorcet, Thierry Guizouarn, Olivier Cador, Boris Le Guennic, Laurent Micouin, Olivier Maury, Erica Benedetti, Fabrice Pointillart|2024|Dalton Trans.|53|8191|doi:10.1039/D4DT00536H
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.cc2h3w3m
title: CCDC 2297630: Experimental Crystal Structure Determination

description: Related Article: Hadrien Flichot, Annika Sickinger, Jules Brom, Bertrand Lefeuvre, Vincent Dorcet, Thierry Guizouarn, Olivier Cador, Boris Le Guennic, Laurent Micouin, Olivier Maury, Erica Benedetti, Fabrice Pointillart|2024|Dalton Trans.|53|8191|doi:10.1039/D4DT00536H
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.cc2h3w4n
title: CCDC 2297631: Experimental Crystal Structure Determination

description: Related Article: Hadrien Flichot, Annika Sickinger, Jules Brom, Bertrand Lefeuvre, Vincent Dorcet, Thierry Guizouarn, Olivier Cador, Boris Le Guennic, Laurent Micouin, Olivier Maury, Erica Benedetti, Fabrice Pointillart|2024|Dalton Trans.|53|8191|doi:10.1039/D4DT00536H
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.cc2h3w5p
title: CCDC 2297632: Experimental Crystal Structure Determination

description: Related Article: Hadrien Flichot, Annika Sickinger, Jules Brom, Bertrand Lefeuvre, Vincent Dorcet, Thierry Guizouarn, Olivier Cador, Boris Le Guennic, Laurent Micouin, Olivier Maury, Erica Benedetti, Fabrice Pointillart|2024|Dalton Trans.|53|8191|doi:10.1039/D4DT00536H
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: 10.25549/whittington-ouc1sto920756
title: Dick Whittington Photography Collection, 1924-1987
DOI: 10.5517/ccdc.csd.cc2h45f8
title: CCDC 2297919: Experimental Crystal Structure Determination

description: Related Article: Xiaoxue Ma, Xin Li, Xueke Han, Lu Zhang, Ronghua Liu, Hongguo Hao, Hui Yan, Xin Zhao, Xiangjin Kong, Huawei Zhou, Xia Li, Hongjie Zhu, Suna Wang, Yunwu Li, Dichang Zhong, Fangna Dai|2024|Inorg.Chem.Front.|11|2990|doi:10.1039/D4QI00605D
description: Related Article: Xiaoxue Ma|2023|CSD Communication|||
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.cc2h8mbr
title: CCDC 2302194: Experimental Crystal Structure Determination

description: Related Article: Xin Su, Yuzan He, Kunhong Li, Miao Wang, Wei Tang, Shihao Zhang, Pengtao Ma, Jingyang Niu, Jingping Wang|2024|Inorg.Chem.Front.|11|2965|doi:10.1039/D4QI00606B
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.cc2h8sxh
title: CCDC 2302367: Experimental Crystal Structure Determination

description: Related Article: Jiahua Wang, Dandan Gao, Aanuoluwapo O. Oyejobi, Na Ji, Xiang-Ying Tang, Long Wang|2024|Org.Chem.Front.|11|2821|doi:10.1039/D4QO00386A
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.cc2h9ql4
title: CCDC 2303256: Experimental Crystal Structure Determination

description: Related Article: Zhengyang Chen, Dan Xiong, Nengzhong Wang, Yufei Zhang, Hui Yao, Jinkun Zhang, Nianyu Huang, Kun Zou|2024|Org.Chem.Front.|11|2762|doi:10.1039/D4QO00169A
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.cc2hb7nr
title: CCDC 2303754: Experimental Crystal Structure Determination

description: Related Article: Jia-Yi Zhang, Yuting Song, Jin Yang, Wen-Yuan Pei, Jian-Fang Ma|2024|Inorg.Chem.Front.|11|3011|doi:10.1039/D4QI00083H
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.cc2hb7ps
title: CCDC 2303755: Experimental Crystal Structure Determination

description: Related Article: Jia-Yi Zhang, Yuting Song, Jin Yang, Wen-Yuan Pei, Jian-Fang Ma|2024|Inorg.Chem.Front.|11|3011|doi:10.1039/D4QI00083H
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.cc2hb7qt
title: CCDC 2303756: Experimental Crystal Structure Determination

description: Related Article: Jia-Yi Zhang, Yuting Song, Jin Yang, Wen-Yuan Pei, Jian-Fang Ma|2024|Inorg.Chem.Front.|11|3011|doi:10.1039/D4QI00083H
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: 10.25549/whittington-ouc1sto919974
title: Dick Whittington Photography Collection, 1924-1987
DOI: 10.5517/ccdc.csd.cc2hbkkz
title: CCDC 2304061: Experimental Crystal Structure Determination

description: Related Article: Na Chen, Tianyu Long, Han-Han Kong, Zheng-Wei Wu, Qing-Qing Yang, Nianyu Huang, Long Wang|2024|Org.Chem.Front.|11|2780|doi:10.1039/D4QO00020J
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.cc2hh88k
title: CCDC 2308578: Experimental Crystal Structure Determination

description: Related Article: Rocco Del Regno, Paolo Della Sala, Ivan Vollono, Carmen Talotta, Placido Neri, Neal Hickey, Siddharth Joshi, Silvano Geremia, Carmine Gaeta|2024|Org.Chem.Front.|11|2710|doi:10.1039/D3QO02139D
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.cc2hh8bm
title: CCDC 2308580: Experimental Crystal Structure Determination

description: Related Article: Rocco Del Regno, Paolo Della Sala, Ivan Vollono, Carmen Talotta, Placido Neri, Neal Hickey, Siddharth Joshi, Silvano Geremia, Carmine Gaeta|2024|Org.Chem.Front.|11|2710|doi:10.1039/D3QO02139D
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.cc2hh8cn
title: CCDC 2308581: Experimental Crystal Structure Determination

description: Related Article: Rocco Del Regno, Paolo Della Sala, Ivan Vollono, Carmen Talotta, Placido Neri, Neal Hickey, Siddharth Joshi, Silvano Geremia, Carmine Gaeta|2024|Org.Chem.Front.|11|2710|doi:10.1039/D3QO02139D
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.cc2hh8dp
title: CCDC 2308582: Experimental Crystal Structure Determination

description: Related Article: Rocco Del Regno, Paolo Della Sala, Ivan Vollono, Carmen Talotta, Placido Neri, Neal Hickey, Siddharth Joshi, Silvano Geremia, Carmine Gaeta|2024|Org.Chem.Front.|11|2710|doi:10.1039/D3QO02139D
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.cc2hh8fq
title: CCDC 2308583: Experimental Crystal Structure Determination

description: Related Article: Rocco Del Regno, Paolo Della Sala, Ivan Vollono, Carmen Talotta, Placido Neri, Neal Hickey, Siddharth Joshi, Silvano Geremia, Carmine Gaeta|2024|Org.Chem.Front.|11|2710|doi:10.1039/D3QO02139D
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: 10.25549/whittington-ouc1sto1616906
title: Dick Whittington Photography Collection, 1924-1987
DOI: 10.5517/ccdc.csd.cc2hh8gr
title: CCDC 2308584: Experimental Crystal Structure Determination

description: Related Article: Rocco Del Regno, Paolo Della Sala, Ivan Vollono, Carmen Talotta, Placido Neri, Neal Hickey, Siddharth Joshi, Silvano Geremia, Carmine Gaeta|2024|Org.Chem.Front.|11|2710|doi:10.1039/D3QO02139D
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.cc2hjf3l
title: CCDC 2309689: Experimental Crystal Structure Determination

description: Related Article: Cangzhu Hu, Shiji Xu, Qiang Wang, Jing Sun, Ying Han, Chao-Guo Yan, Lei Wang|2024|Org.Chem.Front.|11|2768|doi:10.1039/D4QO00263F
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.cc2hjf4m
title: CCDC 2309690: Experimental Crystal Structure Determination

description: Related Article: Cangzhu Hu, Shiji Xu, Qiang Wang, Jing Sun, Ying Han, Chao-Guo Yan, Lei Wang|2024|Org.Chem.Front.|11|2768|doi:10.1039/D4QO00263F
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.cc2hjtql
title: CCDC 2310080: Experimental Crystal Structure Determination

description: Related Article: Yongyan Zhang, Lichao Ning, Tianxin Zhu, Zheng Xie, Shunxi Dong, Xiaoming Feng, Xiaohua Liu|2024|Org.Chem.Front.|11|2897|doi:10.1039/D4QO00374H
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: 10.25549/whittington-ouc1sto1616904
title: Dick Whittington Photography Collection, 1924-1987
DOI: 10.5517/ccdc.csd.cc2bcyl8
title: CCDC 2156440: Experimental Crystal Structure Determination

description: Related Article: Qun-Liang Zhang|2023|CSD Communication|||
description: Related Article: Qun-Liang Zhang, Qing-Tian Fan, Yirong Zhou, Jingli Zhang, Fang-Lin Zhang|2024|Org.Chem.Front.|11|2884|doi:10.1039/D4QO00140K
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.cc2hlzrv
title: CCDC 2312158: Experimental Crystal Structure Determination

description: Related Article: Xuan Zhang, Qi Teng, Yanru Ren, Baitong Wei, Chen-Ho Tung, Zhenghu Xu|2024|Org.Chem.Front.|11|2857|doi:10.1039/D4QO00042K
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.cc2hh89l
title: CCDC 2308579: Experimental Crystal Structure Determination

description: Related Article: Rocco Del Regno, Paolo Della Sala, Ivan Vollono, Carmen Talotta, Placido Neri, Neal Hickey, Siddharth Joshi, Silvano Geremia, Carmine Gaeta|2024|Org.Chem.Front.|11|2710|doi:10.1039/D3QO02139D
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: 10.25549/whittington-ouc1sto1616895
title: Dick Whittington Photography Collection, 1924-1987
DOI: 10.25549/whittington-ouc1sto1616789
title: Dick Whittington Photography Collection, 1924-1987
DOI: 10.15468/dl.fh4sd9
title: Occurrence Download

description: A dataset containing 5 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Bufotes sitibundus",
 "HasCoordinate is true",
 "Year is greater than or equal to 2011",
 "Year is less than or equal to 2024"
 ]
}

 The dataset includes 5 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0013492-240506114902167/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.11179911
title: SINKEX PUV and survey data (FRF 2023)

description: Time series from 7 colocated pressure gages and current meters deployed in the surf zone (~1.5- to 2.5-m water depth) at the USACE Field Research Facility, Duck, NC in Sep-Oct 2023.

The README describes the 2 Hz time series (SINKEX-PUV-data.zip), the files with X-Y-Z locations (SINKEX-DOFFS.zip), and the bathymetry surveys (SINKEX jerski surveys.zip).
DOI: 10.5281/zenodo.11179912
title: SINKEX PUV and survey data (FRF 2023)

description: Time series from 7 colocated pressure gages and current meters deployed in the surf zone (~1.5- to 2.5-m water depth) at the USACE Field Research Facility, Duck, NC in Sep-Oct 2023.

The README describes the 2 Hz time series (SINKEX-PUV-data.zip), the files with X-Y-Z locations (SINKEX-DOFFS.zip), and the bathymetry surveys (SINKEX jerski surveys.zip).
DOI: 10.25549/whittington-ouc1sto1620220
title: Dick Whittington Photography Collection, 1924-1987
DOI: 10.5517/ccdc.csd.cc2hpygm
title: CCDC 2315001: Experimental Crystal Structure Determination

description: Related Article: Yumeng Bian, Runze Wang, Xinxin Xu, Jin Chen, Qiang Wang|2024|Inorg.Chem.Front.|11|3047|doi:10.1039/D4QI00482E
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.cc2hwlcc
title: CCDC 2320423: Experimental Crystal Structure Determination

description: Related Article: Matteo Fiaschi, Ján Vančo, Lorenzo Biancalana, Tomáš Malina, Zdeněk Dvořák, Tiziana Funaioli, Stefano Zacchini, Massimo Guelfi, Zdeněk Trávníček, Fabio Marchetti|2024|Inorg.Chem.Front.|11|2841|doi:10.1039/D4QI00096J
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.cc2hwldd
title: CCDC 2320424: Experimental Crystal Structure Determination

description: Related Article: Matteo Fiaschi, Ján Vančo, Lorenzo Biancalana, Tomáš Malina, Zdeněk Dvořák, Tiziana Funaioli, Stefano Zacchini, Massimo Guelfi, Zdeněk Trávníček, Fabio Marchetti|2024|Inorg.Chem.Front.|11|2841|doi:10.1039/D4QI00096J
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.cc2hwlff
title: CCDC 2320425: Experimental Crystal Structure Determination

description: Related Article: Matteo Fiaschi, Ján Vančo, Lorenzo Biancalana, Tomáš Malina, Zdeněk Dvořák, Tiziana Funaioli, Stefano Zacchini, Massimo Guelfi, Zdeněk Trávníček, Fabio Marchetti|2024|Inorg.Chem.Front.|11|2841|doi:10.1039/D4QI00096J
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.cc2hwlgg
title: CCDC 2320426: Experimental Crystal Structure Determination

description: Related Article: Matteo Fiaschi, Ján Vančo, Lorenzo Biancalana, Tomáš Malina, Zdeněk Dvořák, Tiziana Funaioli, Stefano Zacchini, Massimo Guelfi, Zdeněk Trávníček, Fabio Marchetti|2024|Inorg.Chem.Front.|11|2841|doi:10.1039/D4QI00096J
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.cc2hwlhh
title: CCDC 2320427: Experimental Crystal Structure Determination

description: Related Article: Matteo Fiaschi, Ján Vančo, Lorenzo Biancalana, Tomáš Malina, Zdeněk Dvořák, Tiziana Funaioli, Stefano Zacchini, Massimo Guelfi, Zdeněk Trávníček, Fabio Marchetti|2024|Inorg.Chem.Front.|11|2841|doi:10.1039/D4QI00096J
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.