cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2fxr7c
title: CCDC 2261953: Experimental Crystal Structure Determination

description: Related Article: Tyler Fahrenhorst-Jones, Dehui Kong, Jed M. Burns, Gregory K. Pierens, Paul V. Bernhardt, G. Paul Savage, Craig M. Williams|2023|J.Org.Chem.|88|12867|doi:10.1021/acs.joc.3c01264
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.cc2f54qh
title: CCDC 2239276: Experimental Crystal Structure Determination

description: Related Article: Jonas Gosch, Erik Svensson Grape, Cesare Atzori, Felix Steinke, Kirill A. Lomachenko, A. Ken Inge, Norbert Stock|2023|Chem.Mater.|35|5876|doi:10.1021/acs.chemmater.3c00636
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.cc2fxry2
title: CSD 2261975: Experimental Crystal Structure Determination

description: Related Article: Galyna Nychyporuk, Nataliya Dominyuk, Ihor Muts, Anatoliy Zelinskiy, Rainer Pöttgen, Vasyl Zaremba|2023|Z.Naturforsch.,B:Chem.Sci.|78|427|doi:10.1515/znb-2023-0036
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.cc2f55g8
title: CCDC 2239299: Experimental Crystal Structure Determination

description: Related Article: Jonas Gosch, Erik Svensson Grape, Cesare Atzori, Felix Steinke, Kirill A. Lomachenko, A. Ken Inge, Norbert Stock|2023|Chem.Mater.|35|5876|doi:10.1021/acs.chemmater.3c00636
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.cc2fxrqv
title: CCDC 2261968: Experimental Crystal Structure Determination

description: Related Article: Koki Funatsu, Ryuhei Oka, Naoya Tajima, Toshio Naito|2023|Crystals|13|1606|doi:10.3390/cryst13111606
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.cc2fxs49
title: CCDC 2261981: Experimental Crystal Structure Determination

description: Related Article: Craig S. Day, Stephanie J. Ton, Clemens Kaussler, Daniel Vrønning Hoffmann, Troels Skrydstrup|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202308238
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.cc2fxs5b
title: CCDC 2261982: Experimental Crystal Structure Determination

description: Related Article: Craig S. Day, Stephanie J. Ton, Clemens Kaussler, Daniel Vrønning Hoffmann, Troels Skrydstrup|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202308238
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.cc2fxs6c
title: CCDC 2261983: Experimental Crystal Structure Determination

description: Related Article: Craig S. Day, Stephanie J. Ton, Clemens Kaussler, Daniel Vrønning Hoffmann, Troels Skrydstrup|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202308238
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.cc2fxs7d
title: CCDC 2261984: Experimental Crystal Structure Determination

description: Related Article: Craig S. Day, Stephanie J. Ton, Clemens Kaussler, Daniel Vrønning Hoffmann, Troels Skrydstrup|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202308238
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.cc2fxs8f
title: CCDC 2261985: Experimental Crystal Structure Determination

description: Related Article: Bo-Wen Deng, Yang Zhu, Kun Ding, Jie Li, Meng-Meng Lun, Da-Wei Fu, Zhi-Xu Zhang|2023|Inorg.Chem.|62|11701|doi:10.1021/acs.inorgchem.3c01640
description: Related Article: Bo-Wen Deng, Yang Zhu, Kun Ding, Jie Li, Meng-Meng Lun, Da-Wei Fu, Zhi-Xu Zhang|2023|Inorg.Chem.|62|11701|doi:10.1021/acs.inorgchem.3c01640
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.cc2fxs9g
title: CCDC 2261986: Experimental Crystal Structure Determination

description: Related Article: Bo-Wen Deng, Yang Zhu, Kun Ding, Jie Li, Meng-Meng Lun, Da-Wei Fu, Zhi-Xu Zhang|2023|Inorg.Chem.|62|11701|doi:10.1021/acs.inorgchem.3c01640
description: Related Article: Bo-Wen Deng, Yang Zhu, Kun Ding, Jie Li, Meng-Meng Lun, Da-Wei Fu, Zhi-Xu Zhang|2023|Inorg.Chem.|62|11701|doi:10.1021/acs.inorgchem.3c01640
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.cc2fxsbh
title: CCDC 2261987: Experimental Crystal Structure Determination

description: Related Article: Bo-Wen Deng, Yang Zhu, Kun Ding, Jie Li, Meng-Meng Lun, Da-Wei Fu, Zhi-Xu Zhang|2023|Inorg.Chem.|62|11701|doi:10.1021/acs.inorgchem.3c01640
description: Related Article: Bo-Wen Deng, Yang Zhu, Kun Ding, Jie Li, Meng-Meng Lun, Da-Wei Fu, Zhi-Xu Zhang|2023|Inorg.Chem.|62|11701|doi:10.1021/acs.inorgchem.3c01640
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.cc2fxscj
title: CCDC 2261988: Experimental Crystal Structure Determination

description: Related Article: Bo-Wen Deng, Yang Zhu, Kun Ding, Jie Li, Meng-Meng Lun, Da-Wei Fu, Zhi-Xu Zhang|2023|Inorg.Chem.|62|11701|doi:10.1021/acs.inorgchem.3c01640
description: Related Article: Bo-Wen Deng, Yang Zhu, Kun Ding, Jie Li, Meng-Meng Lun, Da-Wei Fu, Zhi-Xu Zhang|2023|Inorg.Chem.|62|11701|doi:10.1021/acs.inorgchem.3c01640
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.cc2fxsdk
title: CCDC 2261989: Experimental Crystal Structure Determination

description: Related Article: Bo-Wen Deng, Yang Zhu, Kun Ding, Jie Li, Meng-Meng Lun, Da-Wei Fu, Zhi-Xu Zhang|2023|Inorg.Chem.|62|11701|doi:10.1021/acs.inorgchem.3c01640
description: Related Article: Bo-Wen Deng, Yang Zhu, Kun Ding, Jie Li, Meng-Meng Lun, Da-Wei Fu, Zhi-Xu Zhang|2023|Inorg.Chem.|62|11701|doi:10.1021/acs.inorgchem.3c01640
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.cc2fxsfl
title: CCDC 2261990: Experimental Crystal Structure Determination

description: Related Article: Bo-Wen Deng, Yang Zhu, Kun Ding, Jie Li, Meng-Meng Lun, Da-Wei Fu, Zhi-Xu Zhang|2023|Inorg.Chem.|62|11701|doi:10.1021/acs.inorgchem.3c01640
description: Related Article: Bo-Wen Deng, Yang Zhu, Kun Ding, Jie Li, Meng-Meng Lun, Da-Wei Fu, Zhi-Xu Zhang|2023|Inorg.Chem.|62|11701|doi:10.1021/acs.inorgchem.3c01640
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.cc2fxshn
title: CCDC 2261992: Experimental Crystal Structure Determination

description: Related Article: Bo-Wen Deng, Yang Zhu, Kun Ding, Jie Li, Meng-Meng Lun, Da-Wei Fu, Zhi-Xu Zhang|2023|Inorg.Chem.|62|11701|doi:10.1021/acs.inorgchem.3c01640
description: Related Article: Bo-Wen Deng, Yang Zhu, Kun Ding, Jie Li, Meng-Meng Lun, Da-Wei Fu, Zhi-Xu Zhang|2023|Inorg.Chem.|62|11701|doi:10.1021/acs.inorgchem.3c01640
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.cc2fxsjp
title: CCDC 2261993: Experimental Crystal Structure Determination

description: Related Article: Timothée Cadart, Tim Gläsel, Ivana Císařová, Róbert Gyepes, David Nečas, Marko Hapke, Martin Kotora|2023|Chem.-Eur.J.|29||doi:10.1002/chem.202301491
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.cc2fxskq
title: CCDC 2261994: Experimental Crystal Structure Determination

description: Related Article: Timothée Cadart, Tim Gläsel, Ivana Císařová, Róbert Gyepes, David Nečas, Marko Hapke, Martin Kotora|2023|Chem.-Eur.J.|29||doi:10.1002/chem.202301491
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.cc2fxtdl
title: CSD 2262020: Experimental Crystal Structure Determination

description: Related Article: Mateusz Domański, Zoran Mazej, Wojciech Grochala|2023|Chem.-Eur.J.|29||doi:10.1002/chem.202302042
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.cc2fxsgm
title: CCDC 2261991: Experimental Crystal Structure Determination

description: Related Article: Bo-Wen Deng, Yang Zhu, Kun Ding, Jie Li, Meng-Meng Lun, Da-Wei Fu, Zhi-Xu Zhang|2023|Inorg.Chem.|62|11701|doi:10.1021/acs.inorgchem.3c01640
description: Related Article: Bo-Wen Deng, Yang Zhu, Kun Ding, Jie Li, Meng-Meng Lun, Da-Wei Fu, Zhi-Xu Zhang|2023|Inorg.Chem.|62|11701|doi:10.1021/acs.inorgchem.3c01640
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.cc2fxtv1
title: CCDC 2262034: Experimental Crystal Structure Determination

description: Related Article: Dinesh R. Shinde, Gamidi Rama Krishna, Udaya Kiran Marelli|2024|J.Org.Chem.|89|7109|doi:10.1021/acs.joc.3c02217
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.cc2fxtw2
title: CCDC 2262035: Experimental Crystal Structure Determination

description: Related Article: Dinesh R. Shinde, Gamidi Rama Krishna, Udaya Kiran Marelli|2024|J.Org.Chem.|89|7109|doi:10.1021/acs.joc.3c02217
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.cc2fxtjq
title: CCDC 2262024: Experimental Crystal Structure Determination

description: Related Article: Simon Eulberg, Nina Schulze, Jens Krumsieck, Niels Klein, Martin Bröring|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202306598
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.cc2fxtx3
title: CCDC 2262036: Experimental Crystal Structure Determination

description: Related Article: Dinesh R. Shinde, Gamidi Rama Krishna, Udaya Kiran Marelli|2024|J.Org.Chem.|89|7109|doi:10.1021/acs.joc.3c02217
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.cc2fxtkr
title: CCDC 2262025: Experimental Crystal Structure Determination

description: Related Article: Simon Eulberg, Nina Schulze, Jens Krumsieck, Niels Klein, Martin Bröring|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202306598
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.cc2fxvgp
title: CCDC 2262053: Experimental Crystal Structure Determination

description: Related Article: Merrily Sawkmie, Venkanna Banothu, Akalesh Kumar Verma, Anirban Kumar Paul, Sebastian Krajewski, Werner Kaminsky, Mohan Rao Kollipara|2023|J.Mol.Struct.|1001|122876|doi:10.1016/j.jorganchem.2023.122876
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.cc2fxvhq
title: CCDC 2262054: Experimental Crystal Structure Determination

description: Related Article: Merrily Sawkmie, Venkanna Banothu, Akalesh Kumar Verma, Anirban Kumar Paul, Sebastian Krajewski, Werner Kaminsky, Mohan Rao Kollipara|2023|J.Mol.Struct.|1001|122876|doi:10.1016/j.jorganchem.2023.122876
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.cc2f5tjz
title: CCDC 2239921: Experimental Crystal Structure Determination

description: Related Article: Yang-Rong Yao, Jing Zhao, Qingyu Meng, Han-Shi Hu, Min Guo, Yingjing Yan, Jiaxin Zhuang, Shangfeng Yang, Skye Fortier, Luis Echegoyen, W. H. Eugen Schwarz, Jun Li, Ning Chen|2023|J.Am.Chem.Soc.|145|25440|doi:10.1021/jacs.3c10042
description: Related Article: Yang-Rong Yao, Jing Zhao, Qingyu Meng, Han-Shi Hu, Min Guo, Yingjing Yan, Jiaxin Zhuang, Shangfeng Yang, Skye Fortier, Luis Echegoyen, W. H. Eugen Schwarz, Jun Li, Ning Chen|2023|ChemRxiv|||doi:10.26434/chemrxiv-2023-1sdz7
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.cc2fxvjr
title: CCDC 2262055: Experimental Crystal Structure Determination

description: Related Article: Merrily Sawkmie, Venkanna Banothu, Akalesh Kumar Verma, Anirban Kumar Paul, Sebastian Krajewski, Werner Kaminsky, Mohan Rao Kollipara|2023|J.Mol.Struct.|1001|122876|doi:10.1016/j.jorganchem.2023.122876
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.cc2f5tk0
title: CCDC 2239922: Experimental Crystal Structure Determination

description: Related Article: Yang-Rong Yao, Jing Zhao, Qingyu Meng, Han-Shi Hu, Min Guo, Yingjing Yan, Jiaxin Zhuang, Shangfeng Yang, Skye Fortier, Luis Echegoyen, W. H. Eugen Schwarz, Jun Li, Ning Chen|2023|J.Am.Chem.Soc.|145|25440|doi:10.1021/jacs.3c10042
description: Related Article: Yang-Rong Yao, Jing Zhao, Qingyu Meng, Han-Shi Hu, Min Guo, Yingjing Yan, Jiaxin Zhuang, Shangfeng Yang, Skye Fortier, Luis Echegoyen, W. H. Eugen Schwarz, Jun Li, Ning Chen|2023|ChemRxiv|||doi:10.26434/chemrxiv-2023-1sdz7
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.cc2fxw19
title: CCDC 2262071: Experimental Crystal Structure Determination

description: Related Article: Yue Mi, Yanan Yang, Xuli Tang, Xiao Han, Guoqiang Li|2024|Chin.J.Chem.|42|815|doi:10.1002/cjoc.202300592
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.cc2fxw3c
title: CCDC 2262073: Experimental Crystal Structure Determination

description: Related Article: Ethan Zars, Lisa Pick, Abinash Swain, Mrinal Bhunia, Patrick J. Carroll, Dominik Munz, Karsten Meyer, Daniel J. Mindiola|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202311749
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.cc2fxw4d
title: CCDC 2262074: Experimental Crystal Structure Determination

description: Related Article: Ethan Zars, Lisa Pick, Abinash Swain, Mrinal Bhunia, Patrick J. Carroll, Dominik Munz, Karsten Meyer, Daniel J. Mindiola|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202311749
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.