cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2djk6q
title: CCDC 2220443: Experimental Crystal Structure Determination

description: Related Article: Louis Frentzel‐Beyme, Pascal Kolodzeiski, Kai Terlinden, Sebastian Henke|2023|Adv.Funct.Mater.|33||doi:10.1002/adfm.202302033
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.cc2djk7r
title: CCDC 2220444: Experimental Crystal Structure Determination

description: Related Article: Louis Frentzel‐Beyme, Pascal Kolodzeiski, Kai Terlinden, Sebastian Henke|2023|Adv.Funct.Mater.|33||doi:10.1002/adfm.202302033
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.cc2djk9t
title: CCDC 2220446: Experimental Crystal Structure Determination

description: Related Article: Louis Frentzel‐Beyme, Pascal Kolodzeiski, Kai Terlinden, Sebastian Henke|2023|Adv.Funct.Mater.|33||doi:10.1002/adfm.202302033
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.cc2djkbv
title: CCDC 2220447: Experimental Crystal Structure Determination

description: Related Article: Louis Frentzel‐Beyme, Pascal Kolodzeiski, Kai Terlinden, Sebastian Henke|2023|Adv.Funct.Mater.|33||doi:10.1002/adfm.202302033
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.cc2djkcw
title: CCDC 2220448: Experimental Crystal Structure Determination

description: Related Article: Louis Frentzel‐Beyme, Pascal Kolodzeiski, Kai Terlinden, Sebastian Henke|2023|Adv.Funct.Mater.|33||doi:10.1002/adfm.202302033
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.cc2djl6r
title: CCDC 2220474: Experimental Crystal Structure Determination

description: Related Article: Wenjuan Zhang, Juan Ren, Dawei Wang, Tian-Yu Sun, Xiao-Feng Xia|2024|Org.Lett.|26|3982|doi:10.1021/acs.orglett.4c01235
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.cc2dkb0b
title: CCDC 2221181: Experimental Crystal Structure Determination

description: Related Article: Zhen-Hua Zhao, Jia-Run Huang, Pei-Qin Liao, Xiao-Ming Chen|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202301767
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.cc1mw64v
title: CCDC 1515687: Experimental Crystal Structure Determination

description: Related Article: Soumen Sarkar, Subhro Mandal, Animesh Pramanik|2023|Polycyclic Aromat.Compd.|44|1|doi:10.1080/10406638.2023.2209255
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.cc2djl7s
title: CCDC 2220475: Experimental Crystal Structure Determination

description: Related Article: Pingchuan Shen, Shaoshao Jiao, Zeyan Zhuang, Xiaobin Dong, Shaoxin Song, Jinshi Li, Ben Zhong Tang, Zujin Zhao|2024|Angew.Chem.,Int.Ed.|63|e202407605|doi:10.1002/anie.202407605
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.cc2djgr5
title: CCDC 2220367: Experimental Crystal Structure Determination

description: Related Article: Pingchuan Shen, Shaoshao Jiao, Zeyan Zhuang, Xiaobin Dong, Shaoxin Song, Jinshi Li, Ben Zhong Tang, Zujin Zhao|2024|Angew.Chem.,Int.Ed.|63|e202407605|doi:10.1002/anie.202407605
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.cc2djlk3
title: CCDC 2220485: Experimental Crystal Structure Determination

description: Related Article: Jinnan Huo, Xiuqing Dong, Heping Shi, Chongan Di|2023|Chem.Eng.Journal|475|146326|doi:10.1016/j.cej.2023.146326
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.cc2djlm5
title: CCDC 2220487: Experimental Crystal Structure Determination

description: Related Article: Pingchuan Shen, Shaoshao Jiao, Zeyan Zhuang, Xiaobin Dong, Shaoxin Song, Jinshi Li, Ben Zhong Tang, Zujin Zhao|2024|Angew.Chem.,Int.Ed.|63|e202407605|doi:10.1002/anie.202407605
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.cc2djln6
title: CCDC 2220488: Experimental Crystal Structure Determination

description: Related Article: Pingchuan Shen, Shaoshao Jiao, Zeyan Zhuang, Xiaobin Dong, Shaoxin Song, Jinshi Li, Ben Zhong Tang, Zujin Zhao|2024|Angew.Chem.,Int.Ed.|63|e202407605|doi:10.1002/anie.202407605
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.cc2djlsb
title: CCDC 2220492: Experimental Crystal Structure Determination

description: Related Article: Pingchuan Shen, Shaoshao Jiao, Zeyan Zhuang, Xiaobin Dong, Shaoxin Song, Jinshi Li, Ben Zhong Tang, Zujin Zhao|2024|Angew.Chem.,Int.Ed.|63|e202407605|doi:10.1002/anie.202407605
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.cc2djm7t
title: CCDC 2220506: Experimental Crystal Structure Determination

description: Related Article: Weiguang Yang, Martin G. Banwell, Yuhao Chen, Ping Lan, Lorenzo V. White|2023|Synlett|34|1529|doi:10.1055/a-2002-8680
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.cc2djm8v
title: CCDC 2220507: Experimental Crystal Structure Determination

description: Related Article: Weiguang Yang, Martin G. Banwell, Yuhao Chen, Ping Lan, Lorenzo V. White|2023|Synlett|34|1529|doi:10.1055/a-2002-8680
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.cc2djm9w
title: CCDC 2220508: Experimental Crystal Structure Determination

description: Related Article: Weiguang Yang, Martin G. Banwell, Yuhao Chen, Ping Lan, Lorenzo V. White|2023|Synlett|34|1529|doi:10.1055/a-2002-8680
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.cc2dgkq5
title: CCDC 2218537: Experimental Crystal Structure Determination

description: Related Article: Athira Parammal, Shubham Singh, Manoj Kumar, Joe Sam Xavier, Parthasarathi Subramanian|2023|J.Org.Chem.|88|10761|doi:10.1021/acs.joc.3c00816
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.cc29jjcr
title: CCDC 2131044: Experimental Crystal Structure Determination

description: Related Article: Qin-Long Hong, Guo-Xiang Zhao, Jun-Qiang Chen, Shumei Chen, Hai-Xia Zhang, Jian Zhang|2022|Inorg.Chem.|62|618|doi:10.1021/acs.inorgchem.2c03962
description: Related Article: Qin-Long Hong, Guo-Xiang Zhao, Jun-Qiang Chen, Shumei Chen, Hai-Xia Zhang, Jian Zhang|2023|Inorg.Chem.|62|618|doi:10.1021/acs.inorgchem.2c03962
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.cc2djmj3
title: CCDC 2220515: Experimental Crystal Structure Determination

description: Related Article: Tongxin Song, Jie Kong, Shisi Tang, Xiao Cai, Xu Liu, Meng Zhou, Wen Wu Xu, Weiping Ding, Yan Zhu|2023|Nano Res.|16|11383|doi:10.1007/s12274-023-5862-0
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.cc2djmm6
title: CCDC 2220518: Experimental Crystal Structure Determination

description: Related Article: Shisi Tang, Endong Wang, Yanzhen Wu, Tongxin Song, Meng Zhou, Xiao Cai, Yi Gao, Weiping Ding, Yan Zhu|2024|CSD Communication|||
description: Related Article: Shisi Tang, Endong Wang, Yanzhen Wu, Tongxin Song, Meng Zhou, Xiao Cai, Yi Gao, Weiping Ding, Yan Zhu|2024|Chemical Science|15|8372|doi:10.1039/D4SC00942H
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.cc27mbv2
title: CCDC 2074174: Experimental Crystal Structure Determination

description: Related Article: Feng Liu, Junkai Liu, Junyi Gong, Runfeng Lin, Siyuan Qiu, Zicheng Liu, Chongyang Li, Miao Meng, Shijie Li, Mei Tu, Jacky W. Y. Lam, Guangle Niu, Ming Chen|2025|Smart Mol.|3|e20240039|doi:10.1002/smo.20240039
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.cc2djmvf
title: CCDC 2220525: Experimental Crystal Structure Determination

description: Related Article: Yulu Sun, Feng Zhan, Disheng Huang, Xia Wang, Lijie Dou, Kewei Xu, Yun-Fang Yang, Guijie Li, Yuanbin She|2023|Inorg.Chem.|62|13156|doi:10.1021/acs.inorgchem.3c02356
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.5gguaa
title: Occurrence Download

description: A dataset containing 108 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 ('OBSERVATION', 'HUMAN_OBSERVATION', 'MATERIAL_SAMPLE', 'MATERIAL_CITATION', 'PRESERVED_SPECIMEN', 'OCCURRENCE')
 AND occurrence.continent = 'ASIA'
 AND occurrence.countrycode IN ('CN', 'JP', 'KR', 'RU')
 AND occurrence.hascoordinate = TRUE
 AND occurrence.hasgeospatialissues = FALSE
 AND occurrence.occurrencestatus = 'PRESENT'
 AND (CAST(occurrence.taxonkey AS INTEGER) = 3046187 OR CAST(occurrence.acceptedtaxonkey AS INTEGER) = 3046187 OR CAST(occurrence.kingdomkey AS INTEGER) = 3046187 OR CAST(occurrence.phylumkey AS INTEGER) = 3046187 OR CAST(occurrence.classkey AS INTEGER) = 3046187 OR CAST(occurrence.orderkey AS INTEGER) = 3046187 OR CAST(occurrence.familykey AS INTEGER) = 3046187 OR CAST(occurrence.genuskey AS INTEGER) = 3046187 OR CAST(occurrence.specieskey AS INTEGER) = 3046187)
 AND (occurrence."year" &gt;= 1900 AND occurrence."year" &lt;= 2025)
 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 108 records were derived from 97 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000229-251025141854904/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.cc27mc2b
title: CCDC 2074181: Experimental Crystal Structure Determination

description: Related Article: Feng Liu, Junkai Liu, Junyi Gong, Runfeng Lin, Siyuan Qiu, Zicheng Liu, Chongyang Li, Miao Meng, Shijie Li, Mei Tu, Jacky W. Y. Lam, Guangle Niu, Ming Chen|2025|Smart Mol.|3|e20240039|doi:10.1002/smo.20240039
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.cc2djjr7
title: CCDC 2220429: Experimental Crystal Structure Determination

description: Related Article: Xu Gong, Juan Huang, Xiangrui Sun, Ziling Chen, Ming Yang|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202306367
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.cc2djntf
title: CCDC 2220555: Experimental Crystal Structure Determination

description: Related Article: Wenfeng Liu, Wei Li, Weipeng Xu, Minyan Wang, Wangqing Kong |2024|Nat.Commun.|15|2914|doi:10.1038/s41467-024-47200-z
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.cc2djnvg
title: CCDC 2220556: Experimental Crystal Structure Determination

description: Related Article: Wenfeng Liu, Wei Li, Weipeng Xu, Minyan Wang, Wangqing Kong |2024|Nat.Commun.|15|2914|doi:10.1038/s41467-024-47200-z
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.cc2c96c8
title: CCDC 2183589: Experimental Crystal Structure Determination

description: Related Article: Wen-Juan Zhang, Yu-Yue Xu, Li-Jun Wei, Jun-Yue Lin, Wen-Tong Chen, Wei-Sheng Lin|2023|Inorg.Chim.Acta|547|121328|doi:10.1016/j.ica.2022.121328
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.cc2djpc0
title: CCDC 2220572: Experimental Crystal Structure Determination

description: Related Article: Qingyun Wang, Shuquan Wu, Juan Zou, Xuyang Liang, Chengli Mou, Pengcheng Zheng, Yonggui Robin Chi|2023|Nat.Commun.|14|4878|doi:10.1038/s41467-023-40645-8
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.cc2djph4
title: CCDC 2220576: Experimental Crystal Structure Determination

description: Related Article: D. S. Yambulatov, J. K. Voronina, S. A. Nikolaevskii, A. I. Poddel’skii, M. A. Kiskin, I. L. Eremenko|2023|Russ.J.Coord.Chem.|49|479|doi:10.1134/S1070328423600250
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.cc2djpj5
title: CCDC 2220577: Experimental Crystal Structure Determination

description: Related Article: D. S. Yambulatov, J. K. Voronina, S. A. Nikolaevskii, A. I. Poddel’skii, M. A. Kiskin, I. L. Eremenko|2023|Russ.J.Coord.Chem.|49|479|doi:10.1134/S1070328423600250
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.cc2djprd
title: CCDC 2220584: Experimental Crystal Structure Determination

description: Related Article: Marvin Janssen, Stefan Mebs, Jens Beckmann|2023|ChemPlusChem|88|e202200429|doi:10.1002/cplu.202200429
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.