cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.25505/fiz.icsd.cc2lp21f
title: CSD 2403524: Experimental Crystal Structure Determination

description: Related Article: Brenden R. Ortiz, William R. Meier, Ganesh Pokharel, Juan Chamorro, Fazhi Yang, Shirin Mozaffari, Alex Thaler, Steven J. Gomez Alvarado, Heda Zhang, David S. Parker, German D. Samolyuk, Joseph A. M. Paddison, Jiaqiang Yan, Feng Ye, Suchismita Sarker, Stephen D. Wilson, Hu Miao, David Mandrus, Michael A. McGuire|2025|J.Am.Chem.Soc.|147|5279|doi:10.1021/jacs.4c16347
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc2lp22g
title: CSD 2403525: Experimental Crystal Structure Determination

description: Related Article: Brenden R. Ortiz, William R. Meier, Ganesh Pokharel, Juan Chamorro, Fazhi Yang, Shirin Mozaffari, Alex Thaler, Steven J. Gomez Alvarado, Heda Zhang, David S. Parker, German D. Samolyuk, Joseph A. M. Paddison, Jiaqiang Yan, Feng Ye, Suchismita Sarker, Stephen D. Wilson, Hu Miao, David Mandrus, Michael A. McGuire|2025|J.Am.Chem.Soc.|147|5279|doi:10.1021/jacs.4c16347
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc2lp23h
title: CSD 2403526: Experimental Crystal Structure Determination

description: Related Article: Brenden R. Ortiz, William R. Meier, Ganesh Pokharel, Juan Chamorro, Fazhi Yang, Shirin Mozaffari, Alex Thaler, Steven J. Gomez Alvarado, Heda Zhang, David S. Parker, German D. Samolyuk, Joseph A. M. Paddison, Jiaqiang Yan, Feng Ye, Suchismita Sarker, Stephen D. Wilson, Hu Miao, David Mandrus, Michael A. McGuire|2025|J.Am.Chem.Soc.|147|5279|doi:10.1021/jacs.4c16347
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc2lp24j
title: CSD 2403527: Experimental Crystal Structure Determination

description: Related Article: Brenden R. Ortiz, William R. Meier, Ganesh Pokharel, Juan Chamorro, Fazhi Yang, Shirin Mozaffari, Alex Thaler, Steven J. Gomez Alvarado, Heda Zhang, David S. Parker, German D. Samolyuk, Joseph A. M. Paddison, Jiaqiang Yan, Feng Ye, Suchismita Sarker, Stephen D. Wilson, Hu Miao, David Mandrus, Michael A. McGuire|2025|J.Am.Chem.Soc.|147|5279|doi:10.1021/jacs.4c16347
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc2lp25k
title: CSD 2403528: Experimental Crystal Structure Determination

description: Related Article: Brenden R. Ortiz, William R. Meier, Ganesh Pokharel, Juan Chamorro, Fazhi Yang, Shirin Mozaffari, Alex Thaler, Steven J. Gomez Alvarado, Heda Zhang, David S. Parker, German D. Samolyuk, Joseph A. M. Paddison, Jiaqiang Yan, Feng Ye, Suchismita Sarker, Stephen D. Wilson, Hu Miao, David Mandrus, Michael A. McGuire|2025|J.Am.Chem.Soc.|147|5279|doi:10.1021/jacs.4c16347
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc2m1lx6
title: CSD 2414618: Experimental Crystal Structure Determination

description: Related Article: Désirée Badea, Christoph Lenting, Michael Hanrath, Jörn Bruns|2025|Eur.J.Inorg.Chem.|28|e202500036|doi:10.1002/ejic.202500036
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc2m1lz8
title: CSD 2414620: Experimental Crystal Structure Determination

description: Related Article: Désirée Badea, Christoph Lenting, Michael Hanrath, Jörn Bruns|2025|Eur.J.Inorg.Chem.|28|e202500036|doi:10.1002/ejic.202500036
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc2m1nw7
title: CSD 2414679: Experimental Crystal Structure Determination

description: Related Article: Yun Ji, Huili Zhang, Xin Wen, Jindong Chen, Guangsai Yang, Yuchen Yan, Guang Peng, Ning Ye|2025|Dalton Trans.|54|6596|doi:10.1039/D5DT00401B
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc2m1nx8
title: CSD 2414680: Experimental Crystal Structure Determination

description: Related Article: Yun Ji, Huili Zhang, Xin Wen, Jindong Chen, Guangsai Yang, Yuchen Yan, Guang Peng, Ning Ye|2025|Dalton Trans.|54|6596|doi:10.1039/D5DT00401B
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc2m1rr6
title: CSD 2414768: Experimental Crystal Structure Determination

description: Related Article: Peter Höhn, Daniel Menéndez Crespo, Matej Bobnar, Primož Koželj, Mitja Krnel, Yurii Prots, Marcus Schmidt, Frank R. Wagner, Yuri Grin|2025|Chem.-Eur.J.|31|e202500134|doi:10.1002/chem.202500134
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc2m1rs7
title: CSD 2414769: Experimental Crystal Structure Determination

description: Related Article: Peter Höhn, Daniel Menéndez Crespo, Matej Bobnar, Primož Koželj, Mitja Krnel, Yurii Prots, Marcus Schmidt, Frank R. Wagner, Yuri Grin|2025|Chem.-Eur.J.|31|e202500134|doi:10.1002/chem.202500134
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc2m1vbw
title: CSD 2414848: Experimental Crystal Structure Determination

description: Related Article: Peter Höhn, Daniel Menéndez Crespo, Matej Bobnar, Primož Koželj, Mitja Krnel, Yurii Prots, Marcus Schmidt, Frank R. Wagner, Yuri Grin|2025|Chem.-Eur.J.|31|e202500134|doi:10.1002/chem.202500134
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc2m1rt8
title: CSD 2414770: Experimental Crystal Structure Determination

description: Related Article: Peter Höhn, Daniel Menéndez Crespo, Matej Bobnar, Primož Koželj, Mitja Krnel, Yurii Prots, Marcus Schmidt, Frank R. Wagner, Yuri Grin|2025|Chem.-Eur.J.|31|e202500134|doi:10.1002/chem.202500134
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc2m1rv9
title: CSD 2414771: Experimental Crystal Structure Determination

description: Related Article: Peter Höhn, Daniel Menéndez Crespo, Matej Bobnar, Primož Koželj, Mitja Krnel, Yurii Prots, Marcus Schmidt, Frank R. Wagner, Yuri Grin|2025|Chem.-Eur.J.|31|e202500134|doi:10.1002/chem.202500134
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc2lpmvs
title: CSD 2404076: Experimental Crystal Structure Determination

description: Related Article: Rakshitha H. Ashwath, Chandran Sudakar|2025|Cryst.Growth Des.|25|1466|doi:10.1021/acs.cgd.4c01564
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.cc2m2bbd
title: CCDC 2415313: Experimental Crystal Structure Determination

description: Related Article: Patrice Kenfack Tsobnang, Christelle Ivane Azambou, Roussin Lontio Fomekong, Tobie Junior Matemb Ma Ntep, Marcus N.A. Fetzer, Arnaud Kamdem Tamo, Christoph Janiak|2025|J.Solid State Chem.|346|125282|doi:10.1016/j.jssc.2025.125282
description: Related Article: Abdou Azizi Toupka, Lontio Fomekong Roussin, Kenfack Tsobnang Patrice, Tedjieukeng Kamta Hypolite Mathias, Michele Zema, Giuliana Aquilanti, Serena C. Tarantino, Tonlé Kenfack Ignas, Lambi Ngolui John |2025|Inorg.Chim.Acta|582|122677|doi:10.1016/j.ica.2025.122677
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.cc2m2dx1
title: CCDC 2415393: Experimental Crystal Structure Determination

description: Related Article: Patrice Kenfack Tsobnang, Christelle Ivane Azambou, Roussin Lontio Fomekong, Tobie Junior Matemb Ma Ntep, Marcus N.A. Fetzer, Arnaud Kamdem Tamo, Christoph Janiak|2025|J.Solid State Chem.|346|125282|doi:10.1016/j.jssc.2025.125282
description: Related Article: Abdou Azizi Toupka, Lontio Fomekong Roussin, Kenfack Tsobnang Patrice, Tedjieukeng Kamta Hypolite Mathias, Michele Zema, Giuliana Aquilanti, Serena C. Tarantino, Tonlé Kenfack Ignas, Lambi Ngolui John |2025|Inorg.Chim.Acta|582|122677|doi:10.1016/j.ica.2025.122677
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.cc2lrjqm
title: CSD 2405901: Experimental Crystal Structure Determination

description: Related Article: Alena Shlyaykher, Frank Tambornino|2025|Z.Krist.Cryst.Mater.|240|39|doi:10.1515/zkri-2024-0118
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc2m2nn1
title: CSD 2415633: Experimental Crystal Structure Determination

description: Related Article: Siddha Sankalpa Sethi, Achintya Lakshan, Ahin Roy, Siddhartha Das, Karabi Das, Partha Pratim Jana|2025|Dalton Trans.|54|8673|doi:10.1039/D5DT00231A
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc2m2nq3
title: CSD 2415635: Experimental Crystal Structure Determination

description: Related Article: Siddha Sankalpa Sethi, Achintya Lakshan, Ahin Roy, Siddhartha Das, Karabi Das, Partha Pratim Jana|2025|Dalton Trans.|54|8673|doi:10.1039/D5DT00231A
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc2m2nr4
title: CSD 2415636: Experimental Crystal Structure Determination

description: Related Article: Siddha Sankalpa Sethi, Achintya Lakshan, Ahin Roy, Siddhartha Das, Karabi Das, Partha Pratim Jana|2025|Dalton Trans.|54|8673|doi:10.1039/D5DT00231A
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc2m2ns5
title: CSD 2415637: Experimental Crystal Structure Determination

description: Related Article: Siddha Sankalpa Sethi, Achintya Lakshan, Ahin Roy, Siddhartha Das, Karabi Das, Partha Pratim Jana|2025|Dalton Trans.|54|8673|doi:10.1039/D5DT00231A
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc2m34zw
title: CSD 2416108: Experimental Crystal Structure Determination

description: Related Article: Manuel Botta, Thomas F. Fässler|2025|Z.Anorg.Allg.Chem.|651|e202500003|doi:10.1002/zaac.202500003
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc2m350y
title: CSD 2416109: Experimental Crystal Structure Determination

description: Related Article: Manuel Botta, Thomas F. Fässler|2025|Z.Anorg.Allg.Chem.|651|e202500003|doi:10.1002/zaac.202500003
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc2m3r6q
title: CSD 2416673: Experimental Crystal Structure Determination

description: Related Article: Shuwen Zhao, Zhiyong Xue, Xin Wen, Yuchen Yan, Jindong Chen, Guang Peng, Ning Ye|2025|Cryst.Growth Des.|25|2146|doi:10.1021/acs.cgd.5c00075
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc2m3r8s
title: CSD 2416675: Experimental Crystal Structure Determination

description: Related Article: Shuwen Zhao, Zhiyong Xue, Xin Wen, Yuchen Yan, Jindong Chen, Guang Peng, Ning Ye|2025|Cryst.Growth Des.|25|2146|doi:10.1021/acs.cgd.5c00075
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc2m3r9t
title: CSD 2416676: Experimental Crystal Structure Determination

description: Related Article: Shuwen Zhao, Zhiyong Xue, Xin Wen, Yuchen Yan, Jindong Chen, Guang Peng, Ning Ye|2025|Cryst.Growth Des.|25|2146|doi:10.1021/acs.cgd.5c00075
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc2lvdql
title: CSD 2408660: Experimental Crystal Structure Determination

description: Related Article: Junjie Wang, Xu Liu, Cuiying Pei, Yanpeng Qi, Jian-gang Guo, Tianping Ying|2025|Inorg.Chem.|64|2276|doi:10.1021/acs.inorgchem.4c04253
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc2lvdrm
title: CSD 2408661: Experimental Crystal Structure Determination

description: Related Article: Junjie Wang, Xu Liu, Cuiying Pei, Yanpeng Qi, Jian-gang Guo, Tianping Ying|2025|Inorg.Chem.|64|2276|doi:10.1021/acs.inorgchem.4c04253
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc2lzp4f
title: CSD 2412765: Experimental Crystal Structure Determination

description: Related Article: Tianyu Zhu, Zhiying Zhao, Meiyan Cui, Junfeng Wang, Chao Dong, Wenhao Zhang, Guozhao Wang, Wenya Xiang, Zhangzhen He|2025|Inorg.Chem.|64|6631|doi:10.1021/acs.inorgchem.5c00165
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc2m3kmy
title: CSD 2416500: Experimental Crystal Structure Determination

description: Related Article: Baozhu Zhu, Lei Geng, Shoubao Zhang, Shuo Han, Changyu Meng, Youzhao Lan, Qi Wu|2025|Inorg.Chem.|64|6776|doi:10.1021/acs.inorgchem.5c00736
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc2m3knz
title: CSD 2416501: Experimental Crystal Structure Determination

description: Related Article: Baozhu Zhu, Lei Geng, Shoubao Zhang, Shuo Han, Changyu Meng, Youzhao Lan, Qi Wu|2025|Inorg.Chem.|64|6776|doi:10.1021/acs.inorgchem.5c00736
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.