cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2k6p0h
title: CCDC 2359906: Experimental Crystal Structure Determination

description: Related Article: Nuermaimaiti Yisimayili, Zheng-Fei Li, Tao Liu, Chong-Dao Lu|2024|Org.Lett.|26|5978|doi:10.1021/acs.orglett.4c02030
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.cc2j27zv
title: CCDC 2325867: Experimental Crystal Structure Determination

description: Related Article: Jagajiban Sendh, Jubaraj B. Baruah|2024|RSC Advances|14|27153|doi:10.1039/D4RA04655B
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.cc2j282z
title: CCDC 2325870: Experimental Crystal Structure Determination

description: Related Article: Jagajiban Sendh, Jubaraj B. Baruah|2024|RSC Advances|14|27153|doi:10.1039/D4RA04655B
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.cc2hzgkj
title: CCDC 2323188: Experimental Crystal Structure Determination

description: Related Article: Fei Nie|2024|CSD Communication|||
description: Related Article: Fei Nie, Dongpeng Yan |2024|Nat.Commun.|15|5519|doi:10.1038/s41467-024-49886-7
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.cc2k6pvb
title: CCDC 2359932: Experimental Crystal Structure Determination

description: Related Article: Guo-Ling Li,  Ran Zhang|2024|Z.Kristallogr.-New Cryst.Struct.|239|723|doi:10.1515/ncrs-2024-0156
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.cc2jqd1q
title: CCDC 2345213: Experimental Crystal Structure Determination

description: Related Article: Guo-Zhu Liu,  Kai-Ping Xie,  Zong-Jun Li,  Zhu-Jun Long,  Jie-Wei Liu,  Zong-Wen Mo|2024|Z.Kristallogr.-New Cryst.Struct.|239|833|doi:10.1515/ncrs-2024-0160
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.cc2k6pxd
title: CCDC 2359934: Experimental Crystal Structure Determination

description: Related Article: Airong Wang,  Xiaoli Wang,  Yanfei Wang,  Zhongfeng Shi,  Jiaming Li|2024|Z.Kristallogr.-New Cryst.Struct.|239|835|doi:10.1515/ncrs-2024-0164
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.cc2k6q2l
title: CCDC 2359939: Experimental Crystal Structure Determination

description: Related Article: Jing Yang,  Tan-Peng Zhou,  Meng-Meng Cao,  Xia Wang|2024|Z.Kristallogr.-New Cryst.Struct.|239|839|doi:10.1515/ncrs-2024-0167
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.cc2k6q6q
title: CCDC 2359943: Experimental Crystal Structure Determination

description: Related Article: Tong-Yin Jin,  Xue-Mei Lin,  Bi-He Zhu,  Heng-Qiang Zhang,  Chuang Ma|2024|Z.Kristallogr.-New Cryst.Struct.|239|803|doi:10.1515/ncrs-2024-0207
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.cc2k6qdx
title: CCDC 2359949: Experimental Crystal Structure Determination

description: Related Article: Gurumallappa Gurumallappa, Chiao-Fan Chiu, Chi-Liang Ho, Huan-Cheng Chang, Hema Mylnahalli Krishnegowda, Neratur Krishnappagowda Lokanath, Peng Zhang, Norman Lu|2025|J.Mol.Struct.|1322|140303|doi:10.1016/j.molstruc.2024.140303
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.cc2k6qm4
title: CCDC 2359956: Experimental Crystal Structure Determination

description: Related Article: Shuolu Dai, Juan Zou, Haiqi Wang, Min Xu, Erjuan Xu, Jia Song, Yu Hong, Shaojun Li, Wen-Xin Lv, Yonggui Robin Chi|2024|ACS Catalysis|14|14043|doi:10.1021/acscatal.4c04076
description: Related Article: shuolu dai|2024|CSD Communication|||
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.cc2k6qr8
title: CCDC 2359960: Experimental Crystal Structure Determination

description: Related Article: Daisuke Saito, Kaito Segawa, Maria Kikkawa, Masaki Yoshida, Atsushi Kobayashi, Masako Kato|2024|Cryst.Growth Des.|24|7194|doi:10.1021/acs.cgd.4c00817
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.cc2k6r5q
title: CCDC 2359973: Experimental Crystal Structure Determination

description: Related Article: Jared Z. Litman, Rida Farhat, Kaitlin L. Branch, Sasha Cryan, Kaeden Teindl, Brian O. Patrick, Eva M. Nichols|2024|Organometallics|43|2626|doi:10.1021/acs.organomet.4c00252
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.cc2k6r6r
title: CCDC 2359974: Experimental Crystal Structure Determination

description: Related Article: Jared Z. Litman, Rida Farhat, Kaitlin L. Branch, Sasha Cryan, Kaeden Teindl, Brian O. Patrick, Eva M. Nichols|2024|Organometallics|43|2626|doi:10.1021/acs.organomet.4c00252
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.cc2k6r7s
title: CCDC 2359975: Experimental Crystal Structure Determination

description: Related Article: Duygu İnci Özbağcı|2024|Appl.Organomet.Chem.|38|e7697|doi:10.1002/aoc.7697
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.cc2k6r8t
title: CCDC 2359976: Experimental Crystal Structure Determination

description: Related Article: Duygu İnci Özbağcı|2024|Appl.Organomet.Chem.|38|e7697|doi:10.1002/aoc.7697
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.cc2k6rn6
title: CCDC 2359988: Experimental Crystal Structure Determination

description: Related Article: Marinaldo V. Souza Junior, João G. de Oliveira Neto, Luiz F.L. da Silva, Alejandro P. Ayala, Matheus M. Pereira, Richard P. Dutra, Eliana B. Souto, Adenilson O. dos Santos, Francisco F. de Sousa|2025|J.Mol.Liq.|431|127690|doi:10.1016/j.molliq.2025.127690
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.cc2k6rwf
title: CCDC 2359995: Experimental Crystal Structure Determination

description: Related Article: Wataru Kanna, Yu Harabuchi, Kosaku Tanaka III, Hiroki Hayashi, Hideaki Takano, Tomoki Kozuka, Hiroto Sakurai, Nobuyuki Mase, Satoshi Maeda, Tsuyoshi Mita|2025|ACS Catalysis|15|12180|doi:10.1021/acscatal.5c03580
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.cc2k6s2n
title: CSD 2360001: Experimental Crystal Structure Determination

description: Related Article: Xiaole Huang, Bingliang Cheng, Wenjuan Ma, Simin Qi, Yulin Zhang, Meng Shen, Tao Bo, Lei Zhang, Wenwen Lin|2024|Inorg.Chem.|63|11924|doi:10.1021/acs.inorgchem.4c01764
description: Related Article: Xiaole Huang, Bingliang Cheng, Wenjuan Ma, Simin Qi, Yulin Zhang, Meng Shen, Tao Bo, Lei Zhang, Wenwen Lin|2024|Inorg.Chem.|63|11924|doi:10.1021/acs.inorgchem.4c01764
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.cc2k6rzj
title: CCDC 2359998: Experimental Crystal Structure Determination

description: Related Article: Hongguang Chen, Daming Feng, Fengxia Wei, Fang Guo, Anthony K. Cheetham
|2024|Angew.Chem.,Int.Ed.|64|e202415454|doi:10.1002/anie.202415454
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.cc2k6s3p
title: CSD 2360002: Experimental Crystal Structure Determination

description: Related Article: Xiaole Huang, Bingliang Cheng, Wenjuan Ma, Simin Qi, Yulin Zhang, Meng Shen, Tao Bo, Lei Zhang, Wenwen Lin|2024|Inorg.Chem.|63|11924|doi:10.1021/acs.inorgchem.4c01764
description: Related Article: Xiaole Huang, Bingliang Cheng, Wenjuan Ma, Simin Qi, Yulin Zhang, Meng Shen, Tao Bo, Lei Zhang, Wenwen Lin|2024|Inorg.Chem.|63|11924|doi:10.1021/acs.inorgchem.4c01764
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.cc2k6s4q
title: CSD 2360003: Experimental Crystal Structure Determination

description: Related Article: Xiaole Huang, Bingliang Cheng, Wenjuan Ma, Simin Qi, Yulin Zhang, Meng Shen, Tao Bo, Lei Zhang, Wenwen Lin|2024|Inorg.Chem.|63|11924|doi:10.1021/acs.inorgchem.4c01764
description: Related Article: Xiaole Huang, Bingliang Cheng, Wenjuan Ma, Simin Qi, Yulin Zhang, Meng Shen, Tao Bo, Lei Zhang, Wenwen Lin|2024|Inorg.Chem.|63|11924|doi:10.1021/acs.inorgchem.4c01764
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.cc2k6s5r
title: CSD 2360004: Experimental Crystal Structure Determination

description: Related Article: Xiaole Huang, Bingliang Cheng, Wenjuan Ma, Simin Qi, Yulin Zhang, Meng Shen, Tao Bo, Lei Zhang, Wenwen Lin|2024|Inorg.Chem.|63|11924|doi:10.1021/acs.inorgchem.4c01764
description: Related Article: Xiaole Huang, Bingliang Cheng, Wenjuan Ma, Simin Qi, Yulin Zhang, Meng Shen, Tao Bo, Lei Zhang, Wenwen Lin|2024|Inorg.Chem.|63|11924|doi:10.1021/acs.inorgchem.4c01764
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.cc2k6s6s
title: CSD 2360005: Experimental Crystal Structure Determination

description: Related Article: Xiaole Huang, Bingliang Cheng, Wenjuan Ma, Simin Qi, Yulin Zhang, Meng Shen, Tao Bo, Lei Zhang, Wenwen Lin|2024|Inorg.Chem.|63|11924|doi:10.1021/acs.inorgchem.4c01764
description: Related Article: Xiaole Huang, Bingliang Cheng, Wenjuan Ma, Simin Qi, Yulin Zhang, Meng Shen, Tao Bo, Lei Zhang, Wenwen Lin|2024|Inorg.Chem.|63|11924|doi:10.1021/acs.inorgchem.4c01764
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.cc2k6s7t
title: CSD 2360006: Experimental Crystal Structure Determination

description: Related Article: Xiaole Huang, Bingliang Cheng, Wenjuan Ma, Simin Qi, Yulin Zhang, Meng Shen, Tao Bo, Lei Zhang, Wenwen Lin|2024|Inorg.Chem.|63|11924|doi:10.1021/acs.inorgchem.4c01764
description: Related Article: Xiaole Huang, Bingliang Cheng, Wenjuan Ma, Simin Qi, Yulin Zhang, Meng Shen, Tao Bo, Lei Zhang, Wenwen Lin|2024|Inorg.Chem.|63|11924|doi:10.1021/acs.inorgchem.4c01764
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.cc2k6s8v
title: CSD 2360007: Experimental Crystal Structure Determination

description: Related Article: Xiaole Huang, Bingliang Cheng, Wenjuan Ma, Simin Qi, Yulin Zhang, Meng Shen, Tao Bo, Lei Zhang, Wenwen Lin|2024|Inorg.Chem.|63|11924|doi:10.1021/acs.inorgchem.4c01764
description: Related Article: Xiaole Huang, Bingliang Cheng, Wenjuan Ma, Simin Qi, Yulin Zhang, Meng Shen, Tao Bo, Lei Zhang, Wenwen Lin|2024|Inorg.Chem.|63|11924|doi:10.1021/acs.inorgchem.4c01764
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.cc2k6s9w
title: CSD 2360008: Experimental Crystal Structure Determination

description: Related Article: Xiaole Huang, Bingliang Cheng, Wenjuan Ma, Simin Qi, Yulin Zhang, Meng Shen, Tao Bo, Lei Zhang, Wenwen Lin|2024|Inorg.Chem.|63|11924|doi:10.1021/acs.inorgchem.4c01764
description: Related Article: Xiaole Huang, Bingliang Cheng, Wenjuan Ma, Simin Qi, Yulin Zhang, Meng Shen, Tao Bo, Lei Zhang, Wenwen Lin|2024|Inorg.Chem.|63|11924|doi:10.1021/acs.inorgchem.4c01764
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.cc2k6sbx
title: CSD 2360009: Experimental Crystal Structure Determination

description: Related Article: Xiaole Huang, Bingliang Cheng, Wenjuan Ma, Simin Qi, Yulin Zhang, Meng Shen, Tao Bo, Lei Zhang, Wenwen Lin|2024|Inorg.Chem.|63|11924|doi:10.1021/acs.inorgchem.4c01764
description: Related Article: Xiaole Huang, Bingliang Cheng, Wenjuan Ma, Simin Qi, Yulin Zhang, Meng Shen, Tao Bo, Lei Zhang, Wenwen Lin|2024|Inorg.Chem.|63|11924|doi:10.1021/acs.inorgchem.4c01764
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.cc2jt1m1
title: CCDC 2347773: Experimental Crystal Structure Determination

description: Related Article: Riku Fukushima, Yoshihiro Sekine, Zhongyue Zhang, Shinya Hayami|2024|J.Am.Chem.Soc.|146|24238|doi:10.1021/jacs.4c05065
description: Related Article: Riku Fukushima, Yoshihiro Sekine, Zhongyue Zhang, Shinya Hayami|2024|J.Am.Chem.Soc.|146|24238|doi:10.1021/jacs.4c05065
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.cc2k6rr9
title: CCDC 2359991: Experimental Crystal Structure Determination

description: Related Article: Riku Fukushima, Yoshihiro Sekine, Zhongyue Zhang, Shinya Hayami|2024|J.Am.Chem.Soc.|146|24238|doi:10.1021/jacs.4c05065
description: Related Article: Riku Fukushima, Yoshihiro Sekine, Zhongyue Zhang, Shinya Hayami|2024|J.Am.Chem.Soc.|146|24238|doi:10.1021/jacs.4c05065
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.cc2k6sf0
title: CCDC 2360012: Experimental Crystal Structure Determination

description: Related Article: Riku Fukushima, Yoshihiro Sekine, Zhongyue Zhang, Shinya Hayami|2024|J.Am.Chem.Soc.|146|24238|doi:10.1021/jacs.4c05065
description: Related Article: Riku Fukushima, Yoshihiro Sekine, Zhongyue Zhang, Shinya Hayami|2024|J.Am.Chem.Soc.|146|24238|doi:10.1021/jacs.4c05065
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.cc2k6sh2
title: CCDC 2360014: Experimental Crystal Structure Determination

description: Related Article: Yongqi Yu, Mengdan You, Jiajia Yu, Weiguang Kong, Chunyan Zhang, Jinjin Bai, Wenguang Li, Ting Li|2025|Adv.Synth.Catal.|367|e202400857|doi:10.1002/adsc.202400857
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.