cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc1pksdf
title: CCDC 1566225: Experimental Crystal Structure Determination

description: Related Article: Zhongbao Jian,  Gerald Kehr,  Constantin G. Daniliuc,  Birgit Wibbeling,  Thomas Wiegand,  Melanie Siedow,  Hellmut Eckert,  Markus Bursch,  Stefan Grimme,  and Gerhard Erker|2017|J.Am.Chem.Soc.|139|6474|doi:10.1021/jacs.7b02548
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.cc1pksfg
title: CCDC 1566226: Experimental Crystal Structure Determination

description: Related Article: Zhongbao Jian,  Gerald Kehr,  Constantin G. Daniliuc,  Birgit Wibbeling,  Thomas Wiegand,  Melanie Siedow,  Hellmut Eckert,  Markus Bursch,  Stefan Grimme,  and Gerhard Erker|2017|J.Am.Chem.Soc.|139|6474|doi:10.1021/jacs.7b02548
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.cc1pksgh
title: CCDC 1566227: Experimental Crystal Structure Determination

description: Related Article: Zhongbao Jian,  Gerald Kehr,  Constantin G. Daniliuc,  Birgit Wibbeling,  Thomas Wiegand,  Melanie Siedow,  Hellmut Eckert,  Markus Bursch,  Stefan Grimme,  and Gerhard Erker|2017|J.Am.Chem.Soc.|139|6474|doi:10.1021/jacs.7b02548
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.cc1pkshj
title: CCDC 1566228: Experimental Crystal Structure Determination

description: Related Article: Zhongbao Jian,  Gerald Kehr,  Constantin G. Daniliuc,  Birgit Wibbeling,  Thomas Wiegand,  Melanie Siedow,  Hellmut Eckert,  Markus Bursch,  Stefan Grimme,  and Gerhard Erker|2017|J.Am.Chem.Soc.|139|6474|doi:10.1021/jacs.7b02548
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.cc1pksjk
title: CCDC 1566229: Experimental Crystal Structure Determination

description: Related Article: Zhongbao Jian,  Gerald Kehr,  Constantin G. Daniliuc,  Birgit Wibbeling,  Thomas Wiegand,  Melanie Siedow,  Hellmut Eckert,  Markus Bursch,  Stefan Grimme,  and Gerhard Erker|2017|J.Am.Chem.Soc.|139|6474|doi:10.1021/jacs.7b02548
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.cc1pkskl
title: CCDC 1566230: Experimental Crystal Structure Determination

description: Related Article: Zhongbao Jian,  Gerald Kehr,  Constantin G. Daniliuc,  Birgit Wibbeling,  Thomas Wiegand,  Melanie Siedow,  Hellmut Eckert,  Markus Bursch,  Stefan Grimme,  and Gerhard Erker|2017|J.Am.Chem.Soc.|139|6474|doi:10.1021/jacs.7b02548
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.cc1pkslm
title: CCDC 1566231: Experimental Crystal Structure Determination

description: Related Article: Zhongbao Jian,  Gerald Kehr,  Constantin G. Daniliuc,  Birgit Wibbeling,  Thomas Wiegand,  Melanie Siedow,  Hellmut Eckert,  Markus Bursch,  Stefan Grimme,  and Gerhard Erker|2017|J.Am.Chem.Soc.|139|6474|doi:10.1021/jacs.7b02548
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.cc1pksmn
title: CCDC 1566232: Experimental Crystal Structure Determination

description: Related Article: Zhongbao Jian,  Gerald Kehr,  Constantin G. Daniliuc,  Birgit Wibbeling,  Thomas Wiegand,  Melanie Siedow,  Hellmut Eckert,  Markus Bursch,  Stefan Grimme,  and Gerhard Erker|2017|J.Am.Chem.Soc.|139|6474|doi:10.1021/jacs.7b02548
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.cc1pksnp
title: CCDC 1566233: Experimental Crystal Structure Determination

description: Related Article: Zhongbao Jian,  Gerald Kehr,  Constantin G. Daniliuc,  Birgit Wibbeling,  Thomas Wiegand,  Melanie Siedow,  Hellmut Eckert,  Markus Bursch,  Stefan Grimme,  and Gerhard Erker|2017|J.Am.Chem.Soc.|139|6474|doi:10.1021/jacs.7b02548
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.cc1pkspq
title: CCDC 1566234: Experimental Crystal Structure Determination

description: Related Article: Zhongbao Jian,  Gerald Kehr,  Constantin G. Daniliuc,  Birgit Wibbeling,  Thomas Wiegand,  Melanie Siedow,  Hellmut Eckert,  Markus Bursch,  Stefan Grimme,  and Gerhard Erker|2017|J.Am.Chem.Soc.|139|6474|doi:10.1021/jacs.7b02548
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.cc1pksqr
title: CCDC 1566235: Experimental Crystal Structure Determination

description: Related Article: Zhongbao Jian,  Gerald Kehr,  Constantin G. Daniliuc,  Birgit Wibbeling,  Thomas Wiegand,  Melanie Siedow,  Hellmut Eckert,  Markus Bursch,  Stefan Grimme,  and Gerhard Erker|2017|J.Am.Chem.Soc.|139|6474|doi:10.1021/jacs.7b02548
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.cc1pksrs
title: CCDC 1566236: Experimental Crystal Structure Determination

description: Related Article: Florian T. Schevenels,  Minxing Shen,  and Scott A. Snyder|2017|J.Am.Chem.Soc.|139|6329|doi:10.1021/jacs.6b12653
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.cc1pksst
title: CCDC 1566237: Experimental Crystal Structure Determination

description: Related Article: Florian T. Schevenels,  Minxing Shen,  and Scott A. Snyder|2017|J.Am.Chem.Soc.|139|6329|doi:10.1021/jacs.6b12653
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.cc1pkstv
title: CCDC 1566238: Experimental Crystal Structure Determination

description: Related Article: Florian T. Schevenels,  Minxing Shen,  and Scott A. Snyder|2017|J.Am.Chem.Soc.|139|6329|doi:10.1021/jacs.6b12653
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.cc1pksxy
title: CCDC 1566241: Experimental Crystal Structure Determination

description: Related Article: Dawei Xiao, Loi H. Do|2018|Organometallics|37|254|doi:10.1021/acs.organomet.7b00807
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.cc1pksyz
title: CCDC 1566242: Experimental Crystal Structure Determination

description: Related Article: Eugene Chong,  Jeff W. Kampf,  Alireza Ariafard,  Allan J. Canty,  and Melanie S. Sanford|2017|J.Am.Chem.Soc.|139|6058|doi:10.1021/jacs.7b02387
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.cc1pksz0
title: CCDC 1566243: Experimental Crystal Structure Determination

description: Related Article: Eugene Chong,  Jeff W. Kampf,  Alireza Ariafard,  Allan J. Canty,  and Melanie S. Sanford|2017|J.Am.Chem.Soc.|139|6058|doi:10.1021/jacs.7b02387
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.cc1pkt02
title: CCDC 1566244: Experimental Crystal Structure Determination

description: Related Article: Eugene Chong,  Jeff W. Kampf,  Alireza Ariafard,  Allan J. Canty,  and Melanie S. Sanford|2017|J.Am.Chem.Soc.|139|6058|doi:10.1021/jacs.7b02387
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.cc1pkt13
title: CCDC 1566245: Experimental Crystal Structure Determination

description: Related Article: Eugene Chong,  Jeff W. Kampf,  Alireza Ariafard,  Allan J. Canty,  and Melanie S. Sanford|2017|J.Am.Chem.Soc.|139|6058|doi:10.1021/jacs.7b02387
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.cc1pkt24
title: CCDC 1566246: Experimental Crystal Structure Determination

description: Related Article: Eugene Chong,  Jeff W. Kampf,  Alireza Ariafard,  Allan J. Canty,  and Melanie S. Sanford|2017|J.Am.Chem.Soc.|139|6058|doi:10.1021/jacs.7b02387
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.cc1pkt35
title: CCDC 1566247: Experimental Crystal Structure Determination

description: Related Article: Eugene Chong,  Jeff W. Kampf,  Alireza Ariafard,  Allan J. Canty,  and Melanie S. Sanford|2017|J.Am.Chem.Soc.|139|6058|doi:10.1021/jacs.7b02387
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.cc1pkt46
title: CCDC 1566248: Experimental Crystal Structure Determination

description: Related Article: Eugene Chong,  Jeff W. Kampf,  Alireza Ariafard,  Allan J. Canty,  and Melanie S. Sanford|2017|J.Am.Chem.Soc.|139|6058|doi:10.1021/jacs.7b02387
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.cc1pkt57
title: CCDC 1566249: Experimental Crystal Structure Determination

description: Related Article: Seyed Sajad Hosseini Balef, Ann M. Chippindale, Hamid Irannejad|2018|J.Biomol.Struct.Dyn.|37|1|doi:10.1080/07391102.2018.1462256
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.cc1jrxls
title: CCDC 1423166: Experimental Crystal Structure Determination

description: Related Article: Jingjing Yang,  Yue-Biao Zhang,  Qi Liu,  Christopher A. Trickett,  Enrique Gutiérrez-Puebla,  M. Ángeles Monge,  Hengjiang Cong,  Abdulrahman Aldossary,  Hexiang Deng,  Omar M. Yaghi|2017|J.Am.Chem.Soc.|139|6448|doi:10.1021/jacs.7b02272
description: Related Article: Omar Yaghi, Yang Jingjing, Zhang Yebiao|2018|U.S.Patents|||
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.cc1jrxmt
title: CCDC 1423167: Experimental Crystal Structure Determination

description: Related Article: Jingjing Yang,  Yue-Biao Zhang,  Qi Liu,  Christopher A. Trickett,  Enrique Gutiérrez-Puebla,  M. Ángeles Monge,  Hengjiang Cong,  Abdulrahman Aldossary,  Hexiang Deng,  Omar M. Yaghi|2017|J.Am.Chem.Soc.|139|6448|doi:10.1021/jacs.7b02272
description: Related Article: Omar Yaghi, Yang Jingjing, Zhang Yebiao|2018|U.S.Patents|||
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.cc1jrxry
title: CCDC 1423171: Experimental Crystal Structure Determination

description: Related Article: Jingjing Yang,  Yue-Biao Zhang,  Qi Liu,  Christopher A. Trickett,  Enrique Gutiérrez-Puebla,  M. Ángeles Monge,  Hengjiang Cong,  Abdulrahman Aldossary,  Hexiang Deng,  Omar M. Yaghi|2017|J.Am.Chem.Soc.|139|6448|doi:10.1021/jacs.7b02272
description: Related Article: Omar Yaghi, Yang Jingjing, Zhang Yebiao|2018|U.S.Patents|||
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.cc1n6kn2
title: CCDC 1525654: Experimental Crystal Structure Determination

description: Related Article: Jingjing Yang,  Yue-Biao Zhang,  Qi Liu,  Christopher A. Trickett,  Enrique Gutiérrez-Puebla,  M. Ángeles Monge,  Hengjiang Cong,  Abdulrahman Aldossary,  Hexiang Deng,  Omar M. Yaghi|2017|J.Am.Chem.Soc.|139|6448|doi:10.1021/jacs.7b02272
description: Related Article: Omar Yaghi, Yang Jingjing, Zhang Yebiao|2018|U.S.Patents|||
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.cc1n6k3j
title: CCDC 1525637: Experimental Crystal Structure Determination

description: Related Article: Jingjing Yang,  Yue-Biao Zhang,  Qi Liu,  Christopher A. Trickett,  Enrique Gutiérrez-Puebla,  M. Ángeles Monge,  Hengjiang Cong,  Abdulrahman Aldossary,  Hexiang Deng,  Omar M. Yaghi|2017|J.Am.Chem.Soc.|139|6448|doi:10.1021/jacs.7b02272
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.cc1n6kp3
title: CCDC 1525655: Experimental Crystal Structure Determination

description: Related Article: Jingjing Yang,  Yue-Biao Zhang,  Qi Liu,  Christopher A. Trickett,  Enrique Gutiérrez-Puebla,  M. Ángeles Monge,  Hengjiang Cong,  Abdulrahman Aldossary,  Hexiang Deng,  Omar M. Yaghi|2017|J.Am.Chem.Soc.|139|6448|doi:10.1021/jacs.7b02272
description: Related Article: Omar Yaghi, Yang Jingjing, Zhang Yebiao|2018|U.S.Patents|||
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.cc1jrxpw
title: CCDC 1423169: Experimental Crystal Structure Determination

description: Related Article: Jingjing Yang,  Yue-Biao Zhang,  Qi Liu,  Christopher A. Trickett,  Enrique Gutiérrez-Puebla,  M. Ángeles Monge,  Hengjiang Cong,  Abdulrahman Aldossary,  Hexiang Deng,  Omar M. Yaghi|2017|J.Am.Chem.Soc.|139|6448|doi:10.1021/jacs.7b02272
description: Related Article: Omar Yaghi, Yang Jingjing, Zhang Yebiao|2018|U.S.Patents|||
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.cc1jrxv1
title: CCDC 1423174: Experimental Crystal Structure Determination

description: Related Article: Jingjing Yang,  Yue-Biao Zhang,  Qi Liu,  Christopher A. Trickett,  Enrique Gutiérrez-Puebla,  M. Ángeles Monge,  Hengjiang Cong,  Abdulrahman Aldossary,  Hexiang Deng,  Omar M. Yaghi|2017|J.Am.Chem.Soc.|139|6448|doi:10.1021/jacs.7b02272
description: Related Article: Omar Yaghi, Yang Jingjing, Zhang Yebiao|2018|U.S.Patents|||
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.cc1jrxsz
title: CCDC 1423172: Experimental Crystal Structure Determination

description: Related Article: Jingjing Yang,  Yue-Biao Zhang,  Qi Liu,  Christopher A. Trickett,  Enrique Gutiérrez-Puebla,  M. Ángeles Monge,  Hengjiang Cong,  Abdulrahman Aldossary,  Hexiang Deng,  Omar M. Yaghi|2017|J.Am.Chem.Soc.|139|6448|doi:10.1021/jacs.7b02272
description: Related Article: Omar Yaghi, Yang Jingjing, Zhang Yebiao|2018|U.S.Patents|||
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.cc1jrxt0
title: CCDC 1423173: Experimental Crystal Structure Determination

description: Related Article: Jingjing Yang,  Yue-Biao Zhang,  Qi Liu,  Christopher A. Trickett,  Enrique Gutiérrez-Puebla,  M. Ángeles Monge,  Hengjiang Cong,  Abdulrahman Aldossary,  Hexiang Deng,  Omar M. Yaghi|2017|J.Am.Chem.Soc.|139|6448|doi:10.1021/jacs.7b02272
description: Related Article: Omar Yaghi, Yang Jingjing, Zhang Yebiao|2018|U.S.Patents|||
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.