cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc1jrv37
title: CCDC 1423089: Experimental Crystal Structure Determination

description: Related Article: Thomas G. Hörner and Peter Klüfers|2016|Eur.J.Inorg.Chem.|2016|1798|doi:10.1002/ejic.201600168
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.cc1jrv48
title: CCDC 1423090: Experimental Crystal Structure Determination

description: Related Article: Thomas G. Hörner and Peter Klüfers|2016|Eur.J.Inorg.Chem.|2016|1798|doi:10.1002/ejic.201600168
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.cc1jrv59
title: CCDC 1423091: Experimental Crystal Structure Determination

description: Related Article: Thomas G. Hörner and Peter Klüfers|2016|Eur.J.Inorg.Chem.|2016|1798|doi:10.1002/ejic.201600168
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.cc1jrv6b
title: CCDC 1423092: Experimental Crystal Structure Determination

description: Related Article: Thomas G. Hörner and Peter Klüfers|2016|Eur.J.Inorg.Chem.|2016|1798|doi:10.1002/ejic.201600168
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.cc1kts16
title: CCDC 1454738: Experimental Crystal Structure Determination

description: Related Article: Holger Braunschweig, Mehmet Ali Celik, Rian D. Dewhurst, Katharina Ferkinghoff, Alexander Hermann, J. Oscar C. Jimenez-Halla, Thomas Kramer, Krzysztof Radacki, Rong Shang, Eva Siedler, Felix Weißenberger, Christine Werner|2016|Chem.-Eur.J.|22|11736|doi:10.1002/chem.201600793
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.cc1kts27
title: CCDC 1454739: Experimental Crystal Structure Determination

description: Related Article: Holger Braunschweig, Mehmet Ali Celik, Rian D. Dewhurst, Katharina Ferkinghoff, Alexander Hermann, J. Oscar C. Jimenez-Halla, Thomas Kramer, Krzysztof Radacki, Rong Shang, Eva Siedler, Felix Weißenberger, Christine Werner|2016|Chem.-Eur.J.|22|11736|doi:10.1002/chem.201600793
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.cc1kts38
title: CCDC 1454740: Experimental Crystal Structure Determination

description: Related Article: Holger Braunschweig, Mehmet Ali Celik, Rian D. Dewhurst, Katharina Ferkinghoff, Alexander Hermann, J. Oscar C. Jimenez-Halla, Thomas Kramer, Krzysztof Radacki, Rong Shang, Eva Siedler, Felix Weißenberger, Christine Werner|2016|Chem.-Eur.J.|22|11736|doi:10.1002/chem.201600793
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.cc1kts49
title: CCDC 1454741: Experimental Crystal Structure Determination

description: Related Article: Holger Braunschweig, Mehmet Ali Celik, Rian D. Dewhurst, Katharina Ferkinghoff, Alexander Hermann, J. Oscar C. Jimenez-Halla, Thomas Kramer, Krzysztof Radacki, Rong Shang, Eva Siedler, Felix Weißenberger, Christine Werner|2016|Chem.-Eur.J.|22|11736|doi:10.1002/chem.201600793
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.cc1kts5b
title: CCDC 1454742: Experimental Crystal Structure Determination

description: Related Article: Holger Braunschweig, Mehmet Ali Celik, Rian D. Dewhurst, Katharina Ferkinghoff, Alexander Hermann, J. Oscar C. Jimenez-Halla, Thomas Kramer, Krzysztof Radacki, Rong Shang, Eva Siedler, Felix Weißenberger, Christine Werner|2016|Chem.-Eur.J.|22|11736|doi:10.1002/chem.201600793
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.cc1kts6c
title: CCDC 1454743: Experimental Crystal Structure Determination

description: Related Article: Holger Braunschweig, Mehmet Ali Celik, Rian D. Dewhurst, Katharina Ferkinghoff, Alexander Hermann, J. Oscar C. Jimenez-Halla, Thomas Kramer, Krzysztof Radacki, Rong Shang, Eva Siedler, Felix Weißenberger, Christine Werner|2016|Chem.-Eur.J.|22|11736|doi:10.1002/chem.201600793
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.cc1kts7d
title: CCDC 1454744: Experimental Crystal Structure Determination

description: Related Article: Holger Braunschweig, Mehmet Ali Celik, Rian D. Dewhurst, Katharina Ferkinghoff, Alexander Hermann, J. Oscar C. Jimenez-Halla, Thomas Kramer, Krzysztof Radacki, Rong Shang, Eva Siedler, Felix Weißenberger, Christine Werner|2016|Chem.-Eur.J.|22|11736|doi:10.1002/chem.201600793
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.cc1kts8f
title: CCDC 1454745: Experimental Crystal Structure Determination

description: Related Article: Holger Braunschweig, Mehmet Ali Celik, Rian D. Dewhurst, Katharina Ferkinghoff, Alexander Hermann, J. Oscar C. Jimenez-Halla, Thomas Kramer, Krzysztof Radacki, Rong Shang, Eva Siedler, Felix Weißenberger, Christine Werner|2016|Chem.-Eur.J.|22|11736|doi:10.1002/chem.201600793
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.cc1kts9g
title: CCDC 1454746: Experimental Crystal Structure Determination

description: Related Article: Holger Braunschweig, Mehmet Ali Celik, Rian D. Dewhurst, Katharina Ferkinghoff, Alexander Hermann, J. Oscar C. Jimenez-Halla, Thomas Kramer, Krzysztof Radacki, Rong Shang, Eva Siedler, Felix Weißenberger, Christine Werner|2016|Chem.-Eur.J.|22|11736|doi:10.1002/chem.201600793
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.17428546
title: Tracing the Evolution of Microservice Systems Through Docker Deployment Artifacts
DOI: 10.5281/zenodo.17428547
title: Tracing the Evolution of Microservice Systems Through Docker Deployment Artifacts
DOI: 10.5517/ccdc.csd.cc1ktsbh
title: CCDC 1454747: Experimental Crystal Structure Determination

description: Related Article: Holger Braunschweig, Mehmet Ali Celik, Rian D. Dewhurst, Katharina Ferkinghoff, Alexander Hermann, J. Oscar C. Jimenez-Halla, Thomas Kramer, Krzysztof Radacki, Rong Shang, Eva Siedler, Felix Weißenberger, Christine Werner|2016|Chem.-Eur.J.|22|11736|doi:10.1002/chem.201600793
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.cc1ktscj
title: CCDC 1454748: Experimental Crystal Structure Determination

description: Related Article: Holger Braunschweig, Mehmet Ali Celik, Rian D. Dewhurst, Katharina Ferkinghoff, Alexander Hermann, J. Oscar C. Jimenez-Halla, Thomas Kramer, Krzysztof Radacki, Rong Shang, Eva Siedler, Felix Weißenberger, Christine Werner|2016|Chem.-Eur.J.|22|11736|doi:10.1002/chem.201600793
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.cc1ktsdk
title: CCDC 1454749: Experimental Crystal Structure Determination

description: Related Article: Holger Braunschweig, Mehmet Ali Celik, Rian D. Dewhurst, Katharina Ferkinghoff, Alexander Hermann, J. Oscar C. Jimenez-Halla, Thomas Kramer, Krzysztof Radacki, Rong Shang, Eva Siedler, Felix Weißenberger, Christine Werner|2016|Chem.-Eur.J.|22|11736|doi:10.1002/chem.201600793
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.cc1j40c1
title: CCDC 1404032: Experimental Crystal Structure Determination

description: Related Article: M. Dębowski, K. Łokaj, A. Wolak, K. Żurawski, A. Plichta, J. Zachara, A. Ostrowski, Z. Florjańczyk|2016|Dalton Trans.|45|8008|doi:10.1039/C6DT00153J
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.cc1ktsfl
title: CCDC 1454750: Experimental Crystal Structure Determination

description: Related Article: Holger Braunschweig, Mehmet Ali Celik, Rian D. Dewhurst, Katharina Ferkinghoff, Alexander Hermann, J. Oscar C. Jimenez-Halla, Thomas Kramer, Krzysztof Radacki, Rong Shang, Eva Siedler, Felix Weißenberger, Christine Werner|2016|Chem.-Eur.J.|22|11736|doi:10.1002/chem.201600793
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.cc1kdv5z
title: CCDC 1442311: Experimental Crystal Structure Determination

description: Related Article: Payam Hayati, AliReza Rezvani, Ali Morsali, Pascal Retailleau, Roberto Centore|2017|Ultrason.Sonochem.|35|81|doi:10.1016/j.ultsonch.2016.09.005
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.cc1ktsgm
title: CCDC 1454751: Experimental Crystal Structure Determination

description: Related Article: Niranjan Meher, Sayan Roy Chowdhury, Parameswar Krishnan Iyer|2016|J.Mater.Chem.B|4|6023|doi:10.1039/C6TB01746K
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/cc1ktshn
title: CCDC 1454752: Experimental Crystal Structure Determination

description: Related Article: Omer Celik|2016|CSD Communication|||
description: Related Article: E. Ö. Karaca, M. Akkoç, E. Öz, S. Altin, V. Dorcet, T. Roisnel, N. Gürbüz, Ö.Çelik, A. Bayri, C. Bruneau, S. Yaşar, I. Özdemir|2017|J.Coord.Chem.|70|1270|doi:10.1080/00958972.2017.1287906
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.cc1ktsjp
title: CCDC 1454753: Experimental Crystal Structure Determination

description: Related Article: Fei Huang, Zhuqing Liu, Quannan Wang, Jiang Lou, Zhengkun Yu|2017|Org.Lett.|19|3660|doi:10.1021/acs.orglett.7b01668
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.cc1ktsrx
title: CCDC 1454760: Experimental Crystal Structure Determination

description: Related Article: Krishnagopal Maiti and Narayanaswamy Jayaraman|2016|J.Org.Chem.|81|4616|doi:10.1021/acs.joc.6b00462
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.cc1ktskq
title: CCDC 1454754: Experimental Crystal Structure Determination

description: Related Article: Heyang Lin, Xueping Chang, Dongpeng Yan, Wei-Hai Fang, Ganglong Cui|2017|Chemical Science|8|2086|doi:10.1039/C6SC04354B
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.cc1ktslr
title: CCDC 1454755: Experimental Crystal Structure Determination

description: Related Article: Heyang Lin, Xueping Chang, Dongpeng Yan, Wei-Hai Fang, Ganglong Cui|2017|Chemical Science|8|2086|doi:10.1039/C6SC04354B
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.cc1ktsms
title: CCDC 1454756: Experimental Crystal Structure Determination

description: Related Article: Nurul Iman Aminudin, Farediah Ahmad, Muhammad Taher, Razauden Mohamed Zulkifli|2016|Phytochem.Lett.|16|287|doi:10.1016/j.phytol.2016.05.008
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: 10.15468/dl.n9qjnz
title: Occurrence Download

description: A dataset containing 31 records in GBIF matching the query:
SELECT
 kingdom,
 kingdomkey,
 phylum,
 phylumkey,
 class,
 classkey,
 "order",
 orderkey,
 family,
 familykey,
 genus,
 genuskey,
 species,
 specieskey,
 "year",
 IF(ISNULL(kingdomkey), NULL, SUM(COUNT(*)) OVER (
 PARTITION BY kingdomkey, "year")) kingdomcount,
 IF(ISNULL(phylumkey), NULL, SUM(COUNT(*)) OVER (
 PARTITION BY phylumkey, "year")) phylumcount,
 IF(ISNULL(classkey), NULL, SUM(COUNT(*)) OVER (
 PARTITION BY classkey, "year")) classcount,
 IF(ISNULL(orderkey), NULL, SUM(COUNT(*)) OVER (
 PARTITION BY orderkey, "year")) ordercount,
 IF(ISNULL(familykey), NULL, SUM(COUNT(*)) OVER (
 PARTITION BY familykey, "year")) familycount,
 IF(ISNULL(genuskey), NULL, SUM(COUNT(*)) OVER (
 PARTITION BY genuskey, "year")) genuscount,
 COUNT(*) occurrences,
 MIN(GBIF_TEMPORALUNCERTAINTY(eventdate, eventtime)) mintemporaluncertainty,
 MIN(COALESCE(coordinateuncertaintyinmeters, 1000)) mincoordinateuncertaintyinmeters
FROM
 occurrence
WHERE
 occurrence.basisofrecord IN ('PRESERVED_SPECIMEN', 'HUMAN_OBSERVATION')
 AND occurrence.occurrencestatus = 'PRESENT'
 AND (CAST(occurrence.taxonkey AS INTEGER) = 2442111 OR CAST(occurrence.acceptedtaxonkey AS INTEGER) = 2442111 OR CAST(occurrence.kingdomkey AS INTEGER) = 2442111 OR CAST(occurrence.phylumkey AS INTEGER) = 2442111 OR CAST(occurrence.classkey AS INTEGER) = 2442111 OR CAST(occurrence.orderkey AS INTEGER) = 2442111 OR CAST(occurrence.familykey AS INTEGER) = 2442111 OR CAST(occurrence.genuskey AS INTEGER) = 2442111 OR CAST(occurrence.specieskey AS INTEGER) = 2442111)
 AND occurrence.hasgeospatialissues = FALSE
 AND NOT GBIF_STRINGARRAYCONTAINS(occurrence.issue, 'TAXON_MATCH_FUZZY', TRUE)
 AND (occurrence.distancefromcentroidinmeters &gt;= 2000.0 OR occurrence.distancefromcentroidinmeters IS NULL)
 AND (occurrence.specieskey IS NOT NULL AND occurrence."year" IS NOT NULL)
GROUP BY
 occurrence.kingdom,
 occurrence.kingdomkey,
 occurrence.phylum,
 occurrence.phylumkey,
 occurrence.class,
 occurrence.classkey,
 occurrence."order",
 occurrence.orderkey,
 occurrence.family,
 occurrence.familykey,
 occurrence.genus,
 occurrence.genuskey,
 occurrence.species,
 occurrence.specieskey,
 occurrence."year"

 The dataset's 31 records were derived from 6 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0053182-251009101135966/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5517/ccdc.csd.cc1ktssy
title: CCDC 1454761: Experimental Crystal Structure Determination

description: Related Article: Sara Massignani, Rebecca Scatena, Arianna Lanza, Magda Monari, Francesca Condello, Fabrizio Nestola, Claudio Pettinari, Federico Zorzi, Luciano Pandolfo|2017|Inorg.Chim.Acta|455|618|doi:10.1016/j.ica.2016.05.009
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.cc1ktstz
title: CCDC 1454762: Experimental Crystal Structure Determination

description: Related Article: Sara Massignani, Rebecca Scatena, Arianna Lanza, Magda Monari, Francesca Condello, Fabrizio Nestola, Claudio Pettinari, Federico Zorzi, Luciano Pandolfo|2017|Inorg.Chim.Acta|455|618|doi:10.1016/j.ica.2016.05.009
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.cc1ktsv0
title: CCDC 1454763: Experimental Crystal Structure Determination

description: Related Article: Sara Massignani, Rebecca Scatena, Arianna Lanza, Magda Monari, Francesca Condello, Fabrizio Nestola, Claudio Pettinari, Federico Zorzi, Luciano Pandolfo|2017|Inorg.Chim.Acta|455|618|doi:10.1016/j.ica.2016.05.009
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.cc1ktsw1
title: CCDC 1454764: Experimental Crystal Structure Determination

description: Related Article: Sara Massignani, Rebecca Scatena, Arianna Lanza, Magda Monari, Francesca Condello, Fabrizio Nestola, Claudio Pettinari, Federico Zorzi, Luciano Pandolfo|2017|Inorg.Chim.Acta|455|618|doi:10.1016/j.ica.2016.05.009
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.