cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.25505/fiz.icsd.cc20fy5l
title: CSD 1860439: Experimental Crystal Structure Determination

description: Related Article: Prots, Yurii, Vasylechko, Leonid, Carrillo-Cabrera, Wilder, Drathen, Christina, Coduri, Mauro, Kaczorowski, Dariusz, Burkhardt, Ulrich, Grin, Yuri|2018|Dalton Trans.|47|12951|
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.cc21mrct
title: CCDC 1895816: Experimental Crystal Structure Determination

description: Related Article: Guido Pampaloni,  Massimo Guelfi,  Anna Sommazzi,  Giuseppe Leone,  Francesco Masi,  Stefano Zacchini,  Giovanni Ricci|2019|Inorg.Chim.Acta|487|331|doi:10.1016/j.ica.2018.12.029
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.cc21mrl1
title: CCDC 1895823: Experimental Crystal Structure Determination

description: Related Article: Denis M. Ngumbu, Tsitsi A. Kapfunde, Novisi K. Oklu, Banothile C. E. Makhubela|2021|Appl.Organomet.Chem.|35||doi:10.1002/aoc.6243
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.cc21n3jc
title: CSD 1896162: Experimental Crystal Structure Determination

description: Related Article: Matthew J. Dickman,  Benjamin V.G. Schwartz,  Susan E. Latturner|2019|J.Solid State Chem.|270|187|doi:10.1016/j.jssc.2018.11.010
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.cc21n3lf
title: CSD 1896164: Experimental Crystal Structure Determination

description: Related Article: Mohammad Usman,  Gregory Morrison,  Vladislav V. Klepov,  Mark D. Smith,  Hans-Conrad zur Loy|2019|J.Solid State Chem.|270|19|doi:10.1016/j.jssc.2018.10.033
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.cc21n3mg
title: CSD 1896165: Experimental Crystal Structure Determination

description: Related Article: Mohammad Usman,  Gregory Morrison,  Vladislav V. Klepov,  Mark D. Smith,  Hans-Conrad zur Loy|2019|J.Solid State Chem.|270|19|doi:10.1016/j.jssc.2018.10.033
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: 10.5281/zenodo.17438971
title: ML4MI Supplementary Material

description: We have included: 



The interview guide, the versions used in the study, for the different roles adaptations were made. 

Codes overview, as extracted from nvivo (codes.png)

The overview of the final themes (final-themes.jpg)

Timeline of the methodology showing the process and how the themes evolved. The initial line by line coding in excel, including analytic memos, is not provided, as it can reveal information. It can be provided with the camera-ready version in case of acceptance.
DOI: 10.5517/ccdc.csd.cc21msdw
title: CCDC 1895848: Experimental Crystal Structure Determination

description: Related Article: M John Plater,  William TA Harrison|2019|J.Chem.Res.|43|281|doi:10.1177/1747519819861079
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: 10.5281/zenodo.17438970
title: ML4MI Supplementary Material

description: We have included: 



The interview guide, the versions used in the study, for the different roles adaptations were made. 

Codes overview, as extracted from nvivo (codes.png)

The overview of the final themes (final-themes.jpg)

Timeline of the methodology showing the process and how the themes evolved. The initial line by line coding in excel, including analytic memos, is not provided, as it can reveal information. It can be provided with the camera-ready version in case of acceptance.
DOI: 10.5517/ccdc.csd.cc21msfx
title: CCDC 1895849: Experimental Crystal Structure Determination

description: Related Article: M John Plater,  William TA Harrison|2019|J.Chem.Res.|43|281|doi:10.1177/1747519819861079
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.cc21msgy
title: CCDC 1895850: Experimental Crystal Structure Determination

description: Related Article: M John Plater,  William TA Harrison|2019|J.Chem.Res.|43|281|doi:10.1177/1747519819861079
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.cc21mshz
title: CCDC 1895851: Experimental Crystal Structure Determination

description: Related Article: M John Plater,  William TA Harrison|2019|J.Chem.Res.|43|281|doi:10.1177/1747519819861079
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.cc21mswc
title: CCDC 1895863: Experimental Crystal Structure Determination

description: Related Article: Will R. Henderson,  Danielle E. Fagnani,  Jonathan Grolms,  Khalil A. Abboud,  Ronald K. Castellano|2019|Helv.Chim.Acta|102|e1900047|doi:10.1002/hlca.201900047
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.cc21mt5p
title: CCDC 1895872: Experimental Crystal Structure Determination

description: Related Article: Xiaorong Wang, Sanxiao Zhao, Yin Chen, Jingang Wang|2019|Spectrochim.Acta,Part A|227|117680|doi:10.1016/j.saa.2019.117680
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.cc21mtm4
title: CCDC 1895886: Experimental Crystal Structure Determination

description: Related Article: Swati Deswal,  Sachin Kumar Singh,  P. Rambabu,  Priyangi Kulkarni,  G. Vaitheeswaran,  B. Praveenkumar,  Satishchandra Ogale,  Ramamoorthy Boomishankar|2019|Chem.Mater.|31|4545|doi:10.1021/acs.chemmater.9b01227
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.cc21mv7s
title: CCDC 1895905: Experimental Crystal Structure Determination

description: Related Article: Igor I. Ponomarev, Konstantin A. Lyssenko, Dmitry Yu. Razorenov, Yulia A. Volkova, Ivan I. Ponomarev, Kirill M. Skupov, Zinaida S. Klemenkova, Ludmila E. Starannikova, Alexander Yu. Alentiev, Yuri P. Yampolskii|2019|Mendeleev Commun.|29|663|doi:10.1016/j.mencom.2019.11.020
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.cc21mx5s
title: CCDC 1895965: Experimental Crystal Structure Determination

description: Related Article: Vida Terzic,  Guillaume Pousse,  Rachel Méallet-Renault,  Philippe Grellier,  Joëlle Dubois|2019|J.Org.Chem.|84|8542|doi:10.1021/acs.joc.9b00895
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.cc20qj8k
title: CCDC 1868688: Experimental Crystal Structure Determination

description: Related Article: Giorgio Volpi, Claudio Garino, Emanuele Priola, Claudio Magistris, Michele R. Chierotti, Claudia Barolo|2019|Dyes Pigm.|171|107713|doi:10.1016/j.dyepig.2019.107713
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.cc20qj9l
title: CCDC 1868689: Experimental Crystal Structure Determination

description: Related Article: Giorgio Volpi, Claudio Garino, Emanuele Priola, Claudio Magistris, Michele R. Chierotti, Claudia Barolo|2019|Dyes Pigm.|171|107713|doi:10.1016/j.dyepig.2019.107713
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.cc20qj6h
title: CCDC 1868686: Experimental Crystal Structure Determination

description: Related Article: Giorgio Volpi, Claudio Garino, Emanuele Priola, Claudio Magistris, Michele R. Chierotti, Claudia Barolo|2019|Dyes Pigm.|171|107713|doi:10.1016/j.dyepig.2019.107713
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.cc20qj7j
title: CCDC 1868687: Experimental Crystal Structure Determination

description: Related Article: Giorgio Volpi, Claudio Garino, Emanuele Priola, Claudio Magistris, Michele R. Chierotti, Claudia Barolo|2019|Dyes Pigm.|171|107713|doi:10.1016/j.dyepig.2019.107713
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.cc21mx9x
title: CCDC 1895969: Experimental Crystal Structure Determination

description: Related Article: Paulina Sołtysiak,  Błażej Dziuk,  Bartosz Zarychta,  Krzysztof Ejsmont,  Grzegorz Spaleniak|2020|Struct.Chem.|31|1185|doi:10.1007/s11224-020-01514-y
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.cc21mxby
title: CCDC 1895970: Experimental Crystal Structure Determination

description: Related Article: Paulina Sołtysiak,  Błażej Dziuk,  Bartosz Zarychta,  Krzysztof Ejsmont,  Grzegorz Spaleniak|2020|Struct.Chem.|31|1185|doi:10.1007/s11224-020-01514-y
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.cc21mxcz
title: CCDC 1895971: Experimental Crystal Structure Determination

description: Related Article: Ming Wang, Zhihong Dai, Xuefeng Jiang|2019|Nat.Commun.|10|2661|doi:10.1038/s41467-019-10651-w
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.cc20kxm4
title: CSD 1864266: Experimental Crystal Structure Determination

description: Related Article: Elisabeth Selb, Martina Tribus, Gunter Heymann|2018|Z.Naturforsch.,B:Chem.Sci.|73|979|doi:10.1515/znb-2018-0180
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.cc21mz9z
title: CCDC 1896031: Experimental Crystal Structure Determination

description: Related Article: Sebastian Hamer, Fynn Röhricht, Marius Jakoby, Ian A Howard, Xianghui Zhang, Christian Näther, Rainer Herges|2019|Beilstein J.Org.Chem.|15|1331|doi:10.3762/bjoc.15.132
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.cc1z4d8s
title: CCDC 1821475: Experimental Crystal Structure Determination

description: Related Article: Masaki Matsuda, Miki Nishi, Shoko Koga, Mika Fujishima, Norihisa Hoshino, Tomoyuki Akutagawa, Hiroyuki Hasegawa|2014|Chem.-Eur.J.|20|11318|doi:10.1002/chem.201402644
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.cc1z4d9t
title: CCDC 1821476: Experimental Crystal Structure Determination

description: Related Article: Masaki Matsuda, Miki Nishi, Shoko Koga, Mika Fujishima, Norihisa Hoshino, Tomoyuki Akutagawa, Hiroyuki Hasegawa|2014|Chem.-Eur.J.|20|11318|doi:10.1002/chem.201402644
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.cc1z4dbv
title: CCDC 1821477: Experimental Crystal Structure Determination

description: Related Article: Masaki Matsuda, Miki Nishi, Shoko Koga, Mika Fujishima, Norihisa Hoshino, Tomoyuki Akutagawa, Hiroyuki Hasegawa|2014|Chem.-Eur.J.|20|11318|doi:10.1002/chem.201402644
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.cc21mzl8
title: CCDC 1896040: Experimental Crystal Structure Determination

description: Related Article: Yogesh Jaiswal, Amit Kumar|2019|Catalysis Communications|131|105784|doi:10.1016/j.catcom.2019.105784
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.cc21mzpc
title: CCDC 1896043: Experimental Crystal Structure Determination

description: Related Article: A.N.Efremov, V.V.Sharutin, O.K.Sharutina, P.V.Andreev, O.S.Eltsov|2020|Izv.Vyssh.Uchebn.Zaved.,Khim.Khim.Tek.|63|10-3|doi:10.6060/ivkkt.20206303.6097
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.cc21n2sl
title: CCDC 1896139: Experimental Crystal Structure Determination

description: Related Article: Felix J. Rizzuto, John P. Carpenter, Jonathan R. Nitschke|2019|J.Am.Chem.Soc.|141|9087|doi:10.1021/jacs.9b03776
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.cc21n2tm
title: CCDC 1896140: Experimental Crystal Structure Determination

description: Related Article: Felix J. Rizzuto, John P. Carpenter, Jonathan R. Nitschke|2019|J.Am.Chem.Soc.|141|9087|doi:10.1021/jacs.9b03776
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.cc21n2vn
title: CCDC 1896141: Experimental Crystal Structure Determination

description: Related Article: Felix J. Rizzuto, John P. Carpenter, Jonathan R. Nitschke|2019|J.Am.Chem.Soc.|141|9087|doi:10.1021/jacs.9b03776
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.cc21n2wp
title: CCDC 1896142: Experimental Crystal Structure Determination

description: Related Article: Felix J. Rizzuto, John P. Carpenter, Jonathan R. Nitschke|2019|J.Am.Chem.Soc.|141|9087|doi:10.1021/jacs.9b03776
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.cc21n2xq
title: CCDC 1896143: Experimental Crystal Structure Determination

description: Related Article: Felix J. Rizzuto, John P. Carpenter, Jonathan R. Nitschke|2019|J.Am.Chem.Soc.|141|9087|doi:10.1021/jacs.9b03776
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.cc21n2yr
title: CCDC 1896144: Experimental Crystal Structure Determination

description: Related Article: Felix J. Rizzuto, John P. Carpenter, Jonathan R. Nitschke|2019|J.Am.Chem.Soc.|141|9087|doi:10.1021/jacs.9b03776
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.