cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2dl809
title: CCDC 2222080: Experimental Crystal Structure Determination

description: Related Article: Guangming Wei, Yue Sun, Dongling Zheng, Shiqi Qiu, Zhengkai Chen, Xiao‐Feng Wu|2023|Eur.J.Org.Chem.|26|e202300090|doi:10.1002/ejoc.202300090
description: Related Article: Yu‐Hao Dai, Zhen Zhao, Zi‐Xin Wang, Ning Liu, Fei‐Ze Li, Jing Su|2023|Eur.J.Inorg.Chem.|26|e202300090|doi:10.1002/ejic.202300090
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.cc2dl81b
title: CCDC 2222081: Experimental Crystal Structure Determination

description: Related Article: Guangming Wei, Yue Sun, Dongling Zheng, Shiqi Qiu, Zhengkai Chen, Xiao‐Feng Wu|2023|Eur.J.Org.Chem.|26|e202300090|doi:10.1002/ejoc.202300090
description: Related Article: Yu‐Hao Dai, Zhen Zhao, Zi‐Xin Wang, Ning Liu, Fei‐Ze Li, Jing Su|2023|Eur.J.Inorg.Chem.|26|e202300090|doi:10.1002/ejic.202300090
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.cc2dl82c
title: CCDC 2222082: Experimental Crystal Structure Determination

description: Related Article: Guangming Wei, Yue Sun, Dongling Zheng, Shiqi Qiu, Zhengkai Chen, Xiao‐Feng Wu|2023|Eur.J.Org.Chem.|26|e202300090|doi:10.1002/ejoc.202300090
description: Related Article: Yu‐Hao Dai, Zhen Zhao, Zi‐Xin Wang, Ning Liu, Fei‐Ze Li, Jing Su|2023|Eur.J.Inorg.Chem.|26|e202300090|doi:10.1002/ejic.202300090
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.cc2dl83d
title: CCDC 2222083: Experimental Crystal Structure Determination

description: Related Article: Guangming Wei, Yue Sun, Dongling Zheng, Shiqi Qiu, Zhengkai Chen, Xiao‐Feng Wu|2023|Eur.J.Org.Chem.|26|e202300090|doi:10.1002/ejoc.202300090
description: Related Article: Yu‐Hao Dai, Zhen Zhao, Zi‐Xin Wang, Ning Liu, Fei‐Ze Li, Jing Su|2023|Eur.J.Inorg.Chem.|26|e202300090|doi:10.1002/ejic.202300090
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.cc2dl84f
title: CCDC 2222084: Experimental Crystal Structure Determination

description: Related Article: Guangming Wei, Yue Sun, Dongling Zheng, Shiqi Qiu, Zhengkai Chen, Xiao‐Feng Wu|2023|Eur.J.Org.Chem.|26|e202300090|doi:10.1002/ejoc.202300090
description: Related Article: Yu‐Hao Dai, Zhen Zhao, Zi‐Xin Wang, Ning Liu, Fei‐Ze Li, Jing Su|2023|Eur.J.Inorg.Chem.|26|e202300090|doi:10.1002/ejic.202300090
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.cc2dl85g
title: CCDC 2222085: Experimental Crystal Structure Determination

description: Related Article: Guangming Wei, Yue Sun, Dongling Zheng, Shiqi Qiu, Zhengkai Chen, Xiao‐Feng Wu|2023|Eur.J.Org.Chem.|26|e202300090|doi:10.1002/ejoc.202300090
description: Related Article: Yu‐Hao Dai, Zhen Zhao, Zi‐Xin Wang, Ning Liu, Fei‐Ze Li, Jing Su|2023|Eur.J.Inorg.Chem.|26|e202300090|doi:10.1002/ejic.202300090
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.cc2dl86h
title: CCDC 2222086: Experimental Crystal Structure Determination

description: Related Article: Guangming Wei, Yue Sun, Dongling Zheng, Shiqi Qiu, Zhengkai Chen, Xiao‐Feng Wu|2023|Eur.J.Org.Chem.|26|e202300090|doi:10.1002/ejoc.202300090
description: Related Article: Yu‐Hao Dai, Zhen Zhao, Zi‐Xin Wang, Ning Liu, Fei‐Ze Li, Jing Su|2023|Eur.J.Inorg.Chem.|26|e202300090|doi:10.1002/ejic.202300090
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.cc2d5x6q
title: CCDC 2210213: Experimental Crystal Structure Determination

description: Related Article: Hamid Aziz, Aamer Saeed, C. John McAdam, Jim Simpson, Tuncer Hökelek, Erum Jabeen, Asma Khurshid, Muhammad Saleem, Hesham R. El-Seedi|2023|J.Mol.Struct.|1281|135108|doi:10.1016/j.molstruc.2023.135108
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.cc2d5x7r
title: CCDC 2210214: Experimental Crystal Structure Determination

description: Related Article: Hamid Aziz, Aamer Saeed, C. John McAdam, Jim Simpson, Tuncer Hökelek, Erum Jabeen, Asma Khurshid, Muhammad Saleem, Hesham R. El-Seedi|2023|J.Mol.Struct.|1281|135108|doi:10.1016/j.molstruc.2023.135108
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.9gaqc8
title: Occurrence Download

description: A dataset containing 282 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Human Observation",
 "CoordinateUncertaintyInMeters 0.0-10000.0",
 "Country is United States of America",
 "TaxonKey is Potamopyrgus antipodarum"
 ]
}

 The dataset includes 282 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000236-251025141854904/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5517/ccdc.csd.cc2dl8gr
title: CCDC 2222094: Experimental Crystal Structure Determination

description: Related Article: Vladimir Viktorovich Sharutin, Dina Rinatovna Galiullina, Mikhail Sergeevich Golovin|2023|Yuzhno-Ural'skii Gosudarst. Univ.Vestn. Ser.Khim.|15|66-2|doi:10.14529/chem230205
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.cc2dl96j
title: CCDC 2222117: Experimental Crystal Structure Determination

description: Related Article: Ya-Ming Tian, Evamaria Hofmann, Wagner Silva, Xiang Pu, Didier Touraud, Ruth M. Gschwind, Werner Kunz, Burkhard König|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202218775
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.cc2dl98l
title: CCDC 2222119: Experimental Crystal Structure Determination

description: Related Article: Ya-Ming Tian, Evamaria Hofmann, Wagner Silva, Xiang Pu, Didier Touraud, Ruth M. Gschwind, Werner Kunz, Burkhard König|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202218775
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.cc2dl9bn
title: CCDC 2222121: Experimental Crystal Structure Determination

description: Related Article: Ya-Ming Tian, Evamaria Hofmann, Wagner Silva, Xiang Pu, Didier Touraud, Ruth M. Gschwind, Werner Kunz, Burkhard König|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202218775
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.cc2dl9dq
title: CCDC 2222123: Experimental Crystal Structure Determination

description: Related Article: Rineswary Rajasagaran, Siti Nur Ashikin Mohd Redzuan, Muhamad Azwan Hamali, Amalina Mohd Tajuddin, Saleh K. Alsaee, Mohd Mustaqim Rosli, Siti Azrah Mohamad Samsuri, Siti Syaida Sirat, Suhana Arshad|2024|Appl.Organomet.Chem.|38|e7744|doi:10.1002/aoc.7744
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.cc2dl9fr
title: CCDC 2222124: Experimental Crystal Structure Determination

description: Related Article: Rineswary Rajasagaran, Siti Nur Ashikin Mohd Redzuan, Muhamad Azwan Hamali, Amalina Mohd Tajuddin, Saleh K. Alsaee, Mohd Mustaqim Rosli, Siti Azrah Mohamad Samsuri, Siti Syaida Sirat, Suhana Arshad|2024|Appl.Organomet.Chem.|38|e7744|doi:10.1002/aoc.7744
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.cc2dfdkt
title: CCDC 2217416: Experimental Crystal Structure Determination

description: Related Article: Guang-Chen Guo, Jiong-Peng Zhao, Song Guo, Wen-Xiong Shi, Fu-Chen Liu, Tong-Bu Lu, Zhi-Ming Zhang|2024|Angew.Chem.,Int.Ed.|63|e202402374|doi:10.1002/anie.202402374
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.cc2dl9q1
title: CCDC 2222133: Experimental Crystal Structure Determination

description: Related Article: Wei Huang, Jiahui Bai, Yinlong Guo, Qinglei Chong, Fanke Meng|2023|Angew.Chem.,Int.Ed.|62|e202219257|doi:10.1002/anie.202219257
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.cc2d4grs
title: CCDC 2208835: Experimental Crystal Structure Determination

description: Related Article: Fatin Nur Ain Abdul Rashid,  Muhamad Zulfaqar Bacho,  Alexandra M. Z. Slawin,  Mohd Abdul Fatah Abdul Manan,  Saiful Azmi Johari,  Mohd Fazli Mohammat|2023|Z.Kristallogr.-New Cryst.Struct.|238|113|doi:10.1515/ncrs-2022-0497
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.cc2dlb5j
title: CCDC 2222147: Experimental Crystal Structure Determination

description: Related Article: Yunlu Li,  Xinzhong Wang|2023|Z.Kristallogr.-New Cryst.Struct.|238|111|doi:10.1515/ncrs-2022-0495
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.cc2dlbcq
title: CCDC 2222153: Experimental Crystal Structure Determination

description: Related Article: Kai Gao,  Su-E. Zha,  Chang-Ying Liu,  Qiao-Juan Wang,  Er-Qiang Wang|2023|Z.Kristallogr.-New Cryst.Struct.|238|117|doi:10.1515/ncrs-2022-0486
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.cc2dlbdr
title: CCDC 2222154: Experimental Crystal Structure Determination

description: Related Article: Si-Min Gong, Yang Wang, Jie-Ru Wang, Jia-Chen Liang, Nan Liu, Jiang-Feng Song, Rui-Sha Zhou|2023|Polyhedron|235|116345|doi:10.1016/j.poly.2023.116345
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.cc2dlbfs
title: CCDC 2222155: Experimental Crystal Structure Determination

description: Related Article: Si-Min Gong, Yang Wang, Jie-Ru Wang, Jia-Chen Liang, Nan Liu, Jiang-Feng Song, Rui-Sha Zhou|2023|Polyhedron|235|116345|doi:10.1016/j.poly.2023.116345
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.cc2dlbgt
title: CCDC 2222156: Experimental Crystal Structure Determination

description: Related Article: Si-Min Gong, Yang Wang, Jie-Ru Wang, Jia-Chen Liang, Nan Liu, Jiang-Feng Song, Rui-Sha Zhou|2023|Polyhedron|235|116345|doi:10.1016/j.poly.2023.116345
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.cc2dlbhv
title: CCDC 2222157: Experimental Crystal Structure Determination

description: Related Article: Si-Min Gong, Yang Wang, Jie-Ru Wang, Jia-Chen Liang, Nan Liu, Jiang-Feng Song, Rui-Sha Zhou|2023|Polyhedron|235|116345|doi:10.1016/j.poly.2023.116345
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.cc2dlbzb
title: CCDC 2222172: Experimental Crystal Structure Determination

description: Related Article: Ndaru Candra Sukmana,  Sugiarto,  Jun Shinogi,  Tatsuhiro Kojima,  Akifumi Higashiura,  Akima Yamamoto,  Takemasa Sakaguchi,  Masahiro Sadakane|2023|Chem.Lett.|52|167|doi:10.1246/cl.220516
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.cc2dfdw4
title: CCDC 2217426: Experimental Crystal Structure Determination

description: Related Article: Guang-Chen Guo, Jiong-Peng Zhao, Song Guo, Wen-Xiong Shi, Fu-Chen Liu, Tong-Bu Lu, Zhi-Ming Zhang|2024|Angew.Chem.,Int.Ed.|63|e202402374|doi:10.1002/anie.202402374
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.cc2dlc0d
title: CCDC 2222173: Experimental Crystal Structure Determination

description: Related Article: Ndaru Candra Sukmana,  Sugiarto,  Jun Shinogi,  Tatsuhiro Kojima,  Akifumi Higashiura,  Akima Yamamoto,  Takemasa Sakaguchi,  Masahiro Sadakane|2023|Chem.Lett.|52|167|doi:10.1246/cl.220516
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.cc2dlc2g
title: CCDC 2222175: Experimental Crystal Structure Determination

description: Related Article: Ndaru Candra Sukmana,  Sugiarto,  Jun Shinogi,  Tatsuhiro Kojima,  Akifumi Higashiura,  Akima Yamamoto,  Takemasa Sakaguchi,  Masahiro Sadakane|2023|Chem.Lett.|52|167|doi:10.1246/cl.220516
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.cc2dlccr
title: CCDC 2222184: Experimental Crystal Structure Determination

description: Related Article: Feng Chen, Xiu-Hua Xu, Zeng-Hao Chen, Yue Chen, Feng-Ling Qing|2023|Beilstein J.Org.Chem.|19|1372|doi:10.3762/bjoc.19.98
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.cc2dlcn1
title: CCDC 2222193: Experimental Crystal Structure Determination

description: Related Article: Markus Zegke, Aida Raauf, Jörg-M. Neudörfl, Erik Strub|2023|Z.Naturforsch.,B:Chem.Sci.|78|339|doi:10.1515/znb-2022-0143
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.cc2dld0f
title: CCDC 2222204: Experimental Crystal Structure Determination

description: Related Article: Weronika Bogdał, Maciej Hodorowicz, Anna Jurowska, Janusz Szklarzewicz|2025|J.Mol.Struct.|1321|140227|doi:10.1016/j.molstruc.2024.140227
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.cc2dlf1h
title: CCDC 2222236: Experimental Crystal Structure Determination

description: Related Article: Karol Rawiak, Maria Mazur, Tsenguun Enkhbold, Michał Sitek, Stanisław Kulczyk, Piotr Paluch, Piotr A. Guńka, Katarzyna N. Jarzembska, Mariola Koszytkowska-Stawińska, Włodzimierz Buchowicz|2024|Inorg.Chim.Acta|565|121995|doi:10.1016/j.ica.2024.121995
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.cc2dlfs7
title: CCDC 2222259: Experimental Crystal Structure Determination

description: Related Article: Junyi Wang, Shuai Zhu, Wangyang Ma, Zhenyang Lin, Qing Ye|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202219062
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.