cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2nh0fm
title: CCDC 2457290: Experimental Crystal Structure Determination

description: Related Article: Xin Zhang, Konstantinos T. Kotoulas, P. M. Anuththara Bandaranayake, Dilani Chathumalee, Nuha Ehsan, Patrick R. Huddleston, John D. Wallis, Carole C. Perry|2025|Phys.Chem.Chem.Phys.(PCCP)|28|1173|doi:10.1039/d5cp03027g
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.cc2npgtn
title: CCDC 2463502: Experimental Crystal Structure Determination

description: Related Article: Pavithra V. Prabhu, Vibhu Darshan, Indira Divya, Moumita Banerjee, Sunil Varughese, Anoop Anakuthil, K. Narayanan Unni, Joshy Joseph|2025|CSD Communication|||
description: Related Article: Pavithra V. Prabhu, Vibhu Darshan, Indira S. Divya, Moumita Banerjee, Sunil Varughese, Anakuthil Anoop, K. N. Narayanan Unni, Joshy Joseph|2025|Chemical Science|17|1002|doi:10.1039/d5sc04370k
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.cc2npgvp
title: CCDC 2463503: Experimental Crystal Structure Determination

description: Related Article: Pavithra V. Prabhu, Vibhu Darshan, Indira Divya, Moumita Banerjee, Sunil Varughese, Anoop Anakuthil, K. Narayanan Unni, Joshy Joseph|2025|CSD Communication|||
description: Related Article: Pavithra V. Prabhu, Vibhu Darshan, Indira S. Divya, Moumita Banerjee, Sunil Varughese, Anakuthil Anoop, K. N. Narayanan Unni, Joshy Joseph|2025|Chemical Science|17|1002|doi:10.1039/d5sc04370k
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.cc2npgwq
title: CCDC 2463504: Experimental Crystal Structure Determination

description: Related Article: Pavithra V. Prabhu, Vibhu Darshan, Indira Divya, Moumita Banerjee, Sunil Varughese, Anoop Anakuthil, K. Narayanan Unni, Joshy Joseph|2025|CSD Communication|||
description: Related Article: Pavithra V. Prabhu, Vibhu Darshan, Indira S. Divya, Moumita Banerjee, Sunil Varughese, Anakuthil Anoop, K. N. Narayanan Unni, Joshy Joseph|2025|Chemical Science|17|1002|doi:10.1039/d5sc04370k
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.cc2npv07
title: CCDC 2463849: Experimental Crystal Structure Determination

description: Related Article: Ankita Rakshit, Raktim Abha Saikia, Snata Deka, Ashim Jyoti Thakur|2025|Org.Biomol.Chem.|24|507|doi:10.1039/d5ob01451d
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.cc2ndz35
title: CCDC 2455327: Experimental Crystal Structure Determination

description: Related Article: Anna Ordyszewska-Lach, Kinga Cieplińska, Iwona Anusiewicz, Jarosław Chojnacki, Kinga Kaniewska-Laskowska, Rafał Grubba|2025|Chemical Science|17|1288|doi:10.1039/d5sc07702h
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.cc2ndz46
title: CCDC 2455328: Experimental Crystal Structure Determination

description: Related Article: Anna Ordyszewska-Lach, Kinga Cieplińska, Iwona Anusiewicz, Jarosław Chojnacki, Kinga Kaniewska-Laskowska, Rafał Grubba|2025|Chemical Science|17|1288|doi:10.1039/d5sc07702h
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.cc2ndz57
title: CCDC 2455329: Experimental Crystal Structure Determination

description: Related Article: Anna Ordyszewska-Lach, Kinga Cieplińska, Iwona Anusiewicz, Jarosław Chojnacki, Kinga Kaniewska-Laskowska, Rafał Grubba|2025|Chemical Science|17|1288|doi:10.1039/d5sc07702h
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.cc2nxshw
title: CSD 2470529: Experimental Crystal Structure Determination

description: Related Article: Kai-Ling Zhu, Ke Li, Liu-Bin Feng, Le Yang, Jia-Jia Chen|2025|Chemical Science|17|977|doi:10.1039/d5sc07121f
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.cc2ndz68
title: CCDC 2455330: Experimental Crystal Structure Determination

description: Related Article: Anna Ordyszewska-Lach, Kinga Cieplińska, Iwona Anusiewicz, Jarosław Chojnacki, Kinga Kaniewska-Laskowska, Rafał Grubba|2025|Chemical Science|17|1288|doi:10.1039/d5sc07702h
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.cc2p3y4x
title: CCDC 2476439: Experimental Crystal Structure Determination

description: Related Article: Ya-Wen Yang, Ke Xu, Zi-Ning Zhou, Ming-Liang Jin, Ryo Tsunashima, Takayoshi Nakamura, Chao-Yang Chai, Qiong Ye|2025|Chemical Science|17|1158|doi:10.1039/d5sc06333g
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.cc2p3y2v
title: CCDC 2476437: Experimental Crystal Structure Determination

description: Related Article: Ya-Wen Yang, Ke Xu, Zi-Ning Zhou, Ming-Liang Jin, Ryo Tsunashima, Takayoshi Nakamura, Chao-Yang Chai, Qiong Ye|2025|Chemical Science|17|1158|doi:10.1039/d5sc06333g
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.cc2p7bjt
title: CCDC 2479706: Experimental Crystal Structure Determination

description: Related Article: Bo Zou, Xiaolin Chen, Haoran Liu, Sijie Wen, Jieqing Huang, Hengshan Wei, Jinqing Huang, Yucheng Gu, Bingjia Xu, Jun Fan, Hua-Wei Jiang|2025|Chemical Science|17|1127|doi:10.1039/d5sc08216a
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.cc2p7bx6
title: CCDC 2479718: Experimental Crystal Structure Determination

description: Related Article: Bo Zou, Xiaolin Chen, Haoran Liu, Sijie Wen, Jieqing Huang, Hengshan Wei, Jinqing Huang, Yucheng Gu, Bingjia Xu, Jun Fan, Hua-Wei Jiang|2025|Chemical Science|17|1127|doi:10.1039/d5sc08216a
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.cc2p7bz8
title: CCDC 2479720: Experimental Crystal Structure Determination

description: Related Article: Bo Zou, Xiaolin Chen, Haoran Liu, Sijie Wen, Jieqing Huang, Hengshan Wei, Jinqing Huang, Yucheng Gu, Bingjia Xu, Jun Fan, Hua-Wei Jiang|2025|Chemical Science|17|1127|doi:10.1039/d5sc08216a
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.cc2p7c4g
title: CCDC 2479725: Experimental Crystal Structure Determination

description: Related Article: Bo Zou, Xiaolin Chen, Haoran Liu, Sijie Wen, Jieqing Huang, Hengshan Wei, Jinqing Huang, Yucheng Gu, Bingjia Xu, Jun Fan, Hua-Wei Jiang|2025|Chemical Science|17|1127|doi:10.1039/d5sc08216a
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.cc2p7c7k
title: CCDC 2479728: Experimental Crystal Structure Determination

description: Related Article: Bo Zou, Xiaolin Chen, Haoran Liu, Sijie Wen, Jieqing Huang, Hengshan Wei, Jinqing Huang, Yucheng Gu, Bingjia Xu, Jun Fan, Hua-Wei Jiang|2025|Chemical Science|17|1127|doi:10.1039/d5sc08216a
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.cc2p7cmy
title: CCDC 2479740: Experimental Crystal Structure Determination

description: Related Article: Bo Zou, Xiaolin Chen, Haoran Liu, Sijie Wen, Jieqing Huang, Hengshan Wei, Jinqing Huang, Yucheng Gu, Bingjia Xu, Jun Fan, Hua-Wei Jiang|2025|Chemical Science|17|1127|doi:10.1039/d5sc08216a
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.cc2p7cp0
title: CCDC 2479742: Experimental Crystal Structure Determination

description: Related Article: Bo Zou, Xiaolin Chen, Haoran Liu, Sijie Wen, Jieqing Huang, Hengshan Wei, Jinqing Huang, Yucheng Gu, Bingjia Xu, Jun Fan, Hua-Wei Jiang|2025|Chemical Science|17|1127|doi:10.1039/d5sc08216a
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.cc2p7cq1
title: CCDC 2479743: Experimental Crystal Structure Determination

description: Related Article: Bo Zou, Xiaolin Chen, Haoran Liu, Sijie Wen, Jieqing Huang, Hengshan Wei, Jinqing Huang, Yucheng Gu, Bingjia Xu, Jun Fan, Hua-Wei Jiang|2025|Chemical Science|17|1127|doi:10.1039/d5sc08216a
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.cc2p7cr2
title: CCDC 2479744: Experimental Crystal Structure Determination

description: Related Article: Bo Zou, Xiaolin Chen, Haoran Liu, Sijie Wen, Jieqing Huang, Hengshan Wei, Jinqing Huang, Yucheng Gu, Bingjia Xu, Jun Fan, Hua-Wei Jiang|2025|Chemical Science|17|1127|doi:10.1039/d5sc08216a
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.18247950
title: Baccharis tridentata Vahl. In: Marchesi E., Mailhos A. & Bonifacino J.M. (Eds.). Flora Uruguaya: Flora Vascular del Uruguay. ISSN 3121-2050, V. 1.0.

description: Citable snapshot. Includes PDF and CSV of collections. Date: January 13th, 2026 at 16:42
DOI: 10.5517/ccdc.csd.cc2p8js9
title: CCDC 2480861: Experimental Crystal Structure Determination

description: Related Article: Xiangyu Zhan, Yong You, Cong Li, Dan Xiao, Lingzhi Xu, Shuoshuo Zhang, Yunfei Du|2025|Org.Biomol.Chem.|24|349|doi:10.1039/d5ob01641j
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: 10.15468/dl.d4yzec
title: Occurrence Download

description: A dataset containing 34 species occurrences available in GBIF matching the query:
{"type":"and","predicates":[{"type":"equals","key":"GADM_LEVEL_2_GID","value":"USA.37.8_1","matchCase":false},{"type":"equals","key":"CLASS_KEY","value":"212","matchCase":false},{"type":"greaterThanOrEquals","key":"YEAR","value":"2015","matchCase":false},{"type":"not","predicate":{"type":"in","key":"BASIS_OF_RECORD","values":["MATERIAL_CITATION","MATERIAL_SAMPLE","PRESERVED_SPECIMEN"],"matchCase":false}},{"type":"lessThanOrEquals","key":"COORDINATE_UNCERTAINTY_IN_METERS","value":"10000","matchCase":false},{"type":"equals","key":"LICENSE","value":"CC BY 4.0","matchCase":false}]}

 The dataset includes 34 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0009527-260108223611665/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.18247949
title: Baccharis tridentata Vahl. In: Marchesi E., Mailhos A. & Bonifacino J.M. (Eds.). Flora Uruguaya: Flora Vascular del Uruguay. ISSN 3121-2050, V. 1.0.

description: Citable snapshot. Includes PDF and CSV of collections. Date: January 13th, 2026 at 16:42
DOI: 10.5517/ccdc.csd.cc2pcn7z
title: CCDC 2483851: Experimental Crystal Structure Determination

description: Related Article: José García-Calvo, María Modino-Montes, Ignacio Romero-Muñiz, Tomás Torres|2025|Chemical Science|17|1310|doi:10.1039/d5sc06682d
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.cc2pcn80
title: CCDC 2483852: Experimental Crystal Structure Determination

description: Related Article: José García-Calvo, María Modino-Montes, Ignacio Romero-Muñiz, Tomás Torres|2025|Chemical Science|17|1310|doi:10.1039/d5sc06682d
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.cc2pcn91
title: CCDC 2483853: Experimental Crystal Structure Determination

description: Related Article: José García-Calvo, María Modino-Montes, Ignacio Romero-Muñiz, Tomás Torres|2025|Chemical Science|17|1310|doi:10.1039/d5sc06682d
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.cc2pdk2r
title: CCDC 2484714: Experimental Crystal Structure Determination

description: Related Article: Ashlyn A. Kamin, Nathaniel J. Schuster, Haomiao Xie, Phuong H. Le, Kathleen M. Snook, Sebastian Krajewski, Werner Kaminsky, Omar K. Farha, Ramesh Jasti, Dianne J. Xiao|2025|Chemical Science|17|1167|doi:10.1039/d5sc07685d
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.cc2pdk3s
title: CCDC 2484715: Experimental Crystal Structure Determination

description: Related Article: Ashlyn A. Kamin, Nathaniel J. Schuster, Haomiao Xie, Phuong H. Le, Kathleen M. Snook, Sebastian Krajewski, Werner Kaminsky, Omar K. Farha, Ramesh Jasti, Dianne J. Xiao|2025|Chemical Science|17|1167|doi:10.1039/d5sc07685d
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.cc2pdk4t
title: CCDC 2484716: Experimental Crystal Structure Determination

description: Related Article: Ashlyn A. Kamin, Nathaniel J. Schuster, Haomiao Xie, Phuong H. Le, Kathleen M. Snook, Sebastian Krajewski, Werner Kaminsky, Omar K. Farha, Ramesh Jasti, Dianne J. Xiao|2025|Chemical Science|17|1167|doi:10.1039/d5sc07685d
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.cc2pdk5v
title: CCDC 2484717: Experimental Crystal Structure Determination

description: Related Article: Ashlyn A. Kamin, Nathaniel J. Schuster, Haomiao Xie, Phuong H. Le, Kathleen M. Snook, Sebastian Krajewski, Werner Kaminsky, Omar K. Farha, Ramesh Jasti, Dianne J. Xiao|2025|Chemical Science|17|1167|doi:10.1039/d5sc07685d
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.cc2pdk6w
title: CCDC 2484718: Experimental Crystal Structure Determination

description: Related Article: Ashlyn A. Kamin, Nathaniel J. Schuster, Haomiao Xie, Phuong H. Le, Kathleen M. Snook, Sebastian Krajewski, Werner Kaminsky, Omar K. Farha, Ramesh Jasti, Dianne J. Xiao|2025|Chemical Science|17|1167|doi:10.1039/d5sc07685d
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.cc2pdk7x
title: CCDC 2484719: Experimental Crystal Structure Determination

description: Related Article: Ashlyn A. Kamin, Nathaniel J. Schuster, Haomiao Xie, Phuong H. Le, Kathleen M. Snook, Sebastian Krajewski, Werner Kaminsky, Omar K. Farha, Ramesh Jasti, Dianne J. Xiao|2025|Chemical Science|17|1167|doi:10.1039/d5sc07685d
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.cc2pdk8y
title: CCDC 2484720: Experimental Crystal Structure Determination

description: Related Article: Ashlyn A. Kamin, Nathaniel J. Schuster, Haomiao Xie, Phuong H. Le, Kathleen M. Snook, Sebastian Krajewski, Werner Kaminsky, Omar K. Farha, Ramesh Jasti, Dianne J. Xiao|2025|Chemical Science|17|1167|doi:10.1039/d5sc07685d
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.