cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2dqhl7
title: CCDC 2226159: Experimental Crystal Structure Determination

description: Related Article: Ting Chen, Yanbo Mei, Liu Leo Liu, Yufen Zhao, Yile Wu, Douglas W. Stephan|2023|Chem.-Eur.J.|29|e202300264|doi:10.1002/chem.202300264
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.cc2dqhn9
title: CCDC 2226161: Experimental Crystal Structure Determination

description: Related Article: Kai Daniel Röseler, Klaus Eichele, Markus Ströbele, Hans-Jürgen Meyer|2024|Eur.J.Inorg.Chem.|27|e202300713|doi:10.1002/ejic.202300713
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.cc2dqhpb
title: CCDC 2226162: Experimental Crystal Structure Determination

description: Related Article: Vadym V. Levterov, Yaroslav Panasiuk, Kateryna Sahun, Oleksandr Stashkevych, Valentyn Badlo, Oleh Shablykin, Iryna Sadkova, Lina Bortnichuk, Oleksii Klymenko-Ulianov, Yuliia Holota, Leonid Lachmann, Petro Borysko, Kateryna Horbatok, Iryna Bodenchuk, Yuliia Bas, Dmytro Dudenko, Pavel K. Mykhailiuk |2023|Nat.Commun.|14|5608|doi:10.1038/s41467-023-41298-3
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.cc2dqhqc
title: CCDC 2226163: Experimental Crystal Structure Determination

description: Related Article: Vadym V. Levterov, Yaroslav Panasiuk, Kateryna Sahun, Oleksandr Stashkevych, Valentyn Badlo, Oleh Shablykin, Iryna Sadkova, Lina Bortnichuk, Oleksii Klymenko-Ulianov, Yuliia Holota, Leonid Lachmann, Petro Borysko, Kateryna Horbatok, Iryna Bodenchuk, Yuliia Bas, Dmytro Dudenko, Pavel K. Mykhailiuk |2023|Nat.Commun.|14|5608|doi:10.1038/s41467-023-41298-3
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.cc2dqhrd
title: CCDC 2226164: Experimental Crystal Structure Determination

description: Related Article: Vadym V. Levterov, Yaroslav Panasiuk, Kateryna Sahun, Oleksandr Stashkevych, Valentyn Badlo, Oleh Shablykin, Iryna Sadkova, Lina Bortnichuk, Oleksii Klymenko-Ulianov, Yuliia Holota, Leonid Lachmann, Petro Borysko, Kateryna Horbatok, Iryna Bodenchuk, Yuliia Bas, Dmytro Dudenko, Pavel K. Mykhailiuk |2023|Nat.Commun.|14|5608|doi:10.1038/s41467-023-41298-3
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.cc27jrl4
title: CCDC 2071686: Experimental Crystal Structure Determination

description: Related Article: Christopher Cummins, Scott Shepard|2021|ChemRxiv|||doi:10.33774/chemrxiv-2021-8v8nx
description: Related Article: Kevin Qian, Scott M. Shepard, Tiansi Xin, Gyeongjin Park, Christopher C. Cummins|2023|J.Am.Chem.Soc.|145|6045|doi:10.1021/jacs.3c00211
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.cc2595nb
title: CCDC 2004821: Experimental Crystal Structure Determination

description: Related Article: Christopher Cummins, Scott Shepard|2021|ChemRxiv|||doi:10.33774/chemrxiv-2021-8v8nx
description: Related Article: Kevin Qian, Scott M. Shepard, Tiansi Xin, Gyeongjin Park, Christopher C. Cummins|2023|J.Am.Chem.Soc.|145|6045|doi:10.1021/jacs.3c00211
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.cc273sdk
title: CCDC 2059218: Experimental Crystal Structure Determination

description: Related Article: Christopher Cummins, Scott Shepard|2021|ChemRxiv|||doi:10.33774/chemrxiv-2021-8v8nx
description: Related Article: Kevin Qian, Scott M. Shepard, Tiansi Xin, Gyeongjin Park, Christopher C. Cummins|2023|J.Am.Chem.Soc.|145|6045|doi:10.1021/jacs.3c00211
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.cc2dqj1q
title: CCDC 2226173: Experimental Crystal Structure Determination

description: Related Article: P. E. Swathi Krishna, Hruidya C. Babu, Nanditha G. Nair, Mahesh Hariharan|2023|Chem.Asian J.|18|e202201248|doi:10.1002/asia.202201248
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.cc2dqj2r
title: CCDC 2226174: Experimental Crystal Structure Determination

description: Related Article: Marcelo M. de Siqueira, Pedro P. de Castro, Juliana A. dos Santos, Leonã S. Flores, Walysson F. de Paiva, Sergio A. Fernandes, Giovanni W. Amarante|2023|React. Chem. Eng.|8|1204|doi:10.1039/D3RE00050H
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.cc2dqj3s
title: CCDC 2226175: Experimental Crystal Structure Determination

description: Related Article: P. E. Swathi Krishna, Hruidya C. Babu, Nanditha G. Nair, Mahesh Hariharan|2023|Chem.Asian J.|18|e202201248|doi:10.1002/asia.202201248
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.cc28zmgc
title: CSD 2114803: Experimental Crystal Structure Determination

description: Related Article: Ni Zhen, Jing Dong, Zhengguo Lin, Zhen Li, Chengpeng Liu, Xiaoxia Li, Weijie Geng, Yingnan Chi, Changwen Hu|2023|Chem.-Eur.J.|29|e202203903|doi:10.1002/chem.202203903
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.cc2dqjb0
title: CCDC 2226182: Experimental Crystal Structure Determination

description: Related Article: Xuefeng Chen, Guangming Wang, Junbo Li, Xiuzheng Chen, Xiaoya Zhao, Ying Zeng, Yuming Su, Kaka Zhang|2023|Adv. Opt. Mater.|11|2301619|doi:10.1002/adom.202301619
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.cc28zmhd
title: CSD 2114804: Experimental Crystal Structure Determination

description: Related Article: Ni Zhen, Jing Dong, Zhengguo Lin, Zhen Li, Chengpeng Liu, Xiaoxia Li, Weijie Geng, Yingnan Chi, Changwen Hu|2023|Chem.-Eur.J.|29|e202203903|doi:10.1002/chem.202203903
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.cc2dqjh5
title: CCDC 2226187: Experimental Crystal Structure Determination

description: Related Article: Hui Wang, Jia‐Xiong Chen, Xi Zhang, Ying‐Chun Cheng, Xiao‐Chun Fan, Lu Zhou, Jia Yu, Kai Wang, Xiao‐Hong Zhang|2023|Adv. Opt. Mater.|11|2300368|doi:10.1002/adom.202300368
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.cc2dqjj6
title: CCDC 2226188: Experimental Crystal Structure Determination

description: Related Article: Yifan Kang, Xiaochen Sun, Yunluo Wang, Yanan Zhang, Wenhuan Huang|2023|J.Struct.Chem.|42|100046|doi:10.1016/j.cjsc.2023.100046
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.cc2dqjk7
title: CCDC 2226189: Experimental Crystal Structure Determination

description: Related Article: Yifan Kang, Xiaochen Sun, Yunluo Wang, Yanan Zhang, Wenhuan Huang|2023|J.Struct.Chem.|42|100046|doi:10.1016/j.cjsc.2023.100046
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.cc2dqjl8
title: CCDC 2226190: Experimental Crystal Structure Determination

description: Related Article: Xuefeng Chen, Guangming Wang, Junbo Li, Xiuzheng Chen, Xiaoya Zhao, Ying Zeng, Yuming Su, Kaka Zhang|2023|Adv. Opt. Mater.|11|2301619|doi:10.1002/adom.202301619
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.cc2dqjpc
title: CCDC 2226193: Experimental Crystal Structure Determination

description: Related Article: Hui Wang, Jia‐Xiong Chen, Xi Zhang, Ying‐Chun Cheng, Xiao‐Chun Fan, Lu Zhou, Jia Yu, Kai Wang, Xiao‐Hong Zhang|2023|Adv. Opt. Mater.|11|2300368|doi:10.1002/adom.202300368
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.cc2dqjsg
title: CCDC 2226196: Experimental Crystal Structure Determination

description: Related Article: Hui Wang, Kai Wang, Jia‐Xiong Chen, Xi Zhang, Lu Zhou, Xiao‐Chun Fan, Ying‐Chun Cheng, Xiao‐Yao Hao, Jia Yu, Xiao‐Hong Zhang|2023|Adv.Funct.Mater.|33|2304398|doi:10.1002/adfm.202304398
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.cc2dqjwk
title: CCDC 2226199: Experimental Crystal Structure Determination

description: Related Article: Hui Wang, Kai Wang, Jia‐Xiong Chen, Xi Zhang, Lu Zhou, Xiao‐Chun Fan, Ying‐Chun Cheng, Xiao‐Yao Hao, Jia Yu, Xiao‐Hong Zhang|2023|Adv.Funct.Mater.|33|2304398|doi:10.1002/adfm.202304398
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.cc2dql5x
title: CCDC 2226239: Experimental Crystal Structure Determination

description: Related Article: Javier Gonzalez-Platas, Ulises R. Rodriguez-Mendoza, Amagoia Aguirrechu-Comeron, Rita R. Hernandez-Molina, Robin Turnbull, Placida Rodriguez-Hernandez, Alfonso Muñoz|2023|Crystals|13|100|doi:10.3390/cryst13010100
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.cc2dql6y
title: CCDC 2226240: Experimental Crystal Structure Determination

description: Related Article: Javier Gonzalez-Platas, Ulises R. Rodriguez-Mendoza, Amagoia Aguirrechu-Comeron, Rita R. Hernandez-Molina, Robin Turnbull, Placida Rodriguez-Hernandez, Alfonso Muñoz|2023|Crystals|13|100|doi:10.3390/cryst13010100
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.cc2dql7z
title: CCDC 2226241: Experimental Crystal Structure Determination

description: Related Article: Javier Gonzalez-Platas, Ulises R. Rodriguez-Mendoza, Amagoia Aguirrechu-Comeron, Rita R. Hernandez-Molina, Robin Turnbull, Placida Rodriguez-Hernandez, Alfonso Muñoz|2023|Crystals|13|100|doi:10.3390/cryst13010100
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.cc2dql80
title: CCDC 2226242: Experimental Crystal Structure Determination

description: Related Article: Javier Gonzalez-Platas, Ulises R. Rodriguez-Mendoza, Amagoia Aguirrechu-Comeron, Rita R. Hernandez-Molina, Robin Turnbull, Placida Rodriguez-Hernandez, Alfonso Muñoz|2023|Crystals|13|100|doi:10.3390/cryst13010100
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.cc2dql91
title: CCDC 2226243: Experimental Crystal Structure Determination

description: Related Article: Javier Gonzalez-Platas, Ulises R. Rodriguez-Mendoza, Amagoia Aguirrechu-Comeron, Rita R. Hernandez-Molina, Robin Turnbull, Placida Rodriguez-Hernandez, Alfonso Muñoz|2023|Crystals|13|100|doi:10.3390/cryst13010100
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.cc2dqlb2
title: CCDC 2226244: Experimental Crystal Structure Determination

description: Related Article: Javier Gonzalez-Platas, Ulises R. Rodriguez-Mendoza, Amagoia Aguirrechu-Comeron, Rita R. Hernandez-Molina, Robin Turnbull, Placida Rodriguez-Hernandez, Alfonso Muñoz|2023|Crystals|13|100|doi:10.3390/cryst13010100
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.cc2dqlc3
title: CCDC 2226245: Experimental Crystal Structure Determination

description: Related Article: Javier Gonzalez-Platas, Ulises R. Rodriguez-Mendoza, Amagoia Aguirrechu-Comeron, Rita R. Hernandez-Molina, Robin Turnbull, Placida Rodriguez-Hernandez, Alfonso Muñoz|2023|Crystals|13|100|doi:10.3390/cryst13010100
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.cc2dqld4
title: CCDC 2226246: Experimental Crystal Structure Determination

description: Related Article: Javier Gonzalez-Platas, Ulises R. Rodriguez-Mendoza, Amagoia Aguirrechu-Comeron, Rita R. Hernandez-Molina, Robin Turnbull, Placida Rodriguez-Hernandez, Alfonso Muñoz|2023|Crystals|13|100|doi:10.3390/cryst13010100
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.cc2dqlf5
title: CCDC 2226247: Experimental Crystal Structure Determination

description: Related Article: Javier Gonzalez-Platas, Ulises R. Rodriguez-Mendoza, Amagoia Aguirrechu-Comeron, Rita R. Hernandez-Molina, Robin Turnbull, Placida Rodriguez-Hernandez, Alfonso Muñoz|2023|Crystals|13|100|doi:10.3390/cryst13010100
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.cc2dqlg6
title: CCDC 2226248: Experimental Crystal Structure Determination

description: Related Article: Javier Gonzalez-Platas, Ulises R. Rodriguez-Mendoza, Amagoia Aguirrechu-Comeron, Rita R. Hernandez-Molina, Robin Turnbull, Placida Rodriguez-Hernandez, Alfonso Muñoz|2023|Crystals|13|100|doi:10.3390/cryst13010100
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.cc2dqlh7
title: CCDC 2226249: Experimental Crystal Structure Determination

description: Related Article: Javier Gonzalez-Platas, Ulises R. Rodriguez-Mendoza, Amagoia Aguirrechu-Comeron, Rita R. Hernandez-Molina, Robin Turnbull, Placida Rodriguez-Hernandez, Alfonso Muñoz|2023|Crystals|13|100|doi:10.3390/cryst13010100
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.cc2dqlj8
title: CCDC 2226250: Experimental Crystal Structure Determination

description: Related Article: Javier Gonzalez-Platas, Ulises R. Rodriguez-Mendoza, Amagoia Aguirrechu-Comeron, Rita R. Hernandez-Molina, Robin Turnbull, Placida Rodriguez-Hernandez, Alfonso Muñoz|2023|Crystals|13|100|doi:10.3390/cryst13010100
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.cc2dqlk9
title: CCDC 2226251: Experimental Crystal Structure Determination

description: Related Article: Javier Gonzalez-Platas, Ulises R. Rodriguez-Mendoza, Amagoia Aguirrechu-Comeron, Rita R. Hernandez-Molina, Robin Turnbull, Placida Rodriguez-Hernandez, Alfonso Muñoz|2023|Crystals|13|100|doi:10.3390/cryst13010100
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.