cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2jymdj
title: CCDC 2352168: Experimental Crystal Structure Determination

description: Related Article: Maryam Pass, Niloufar Dorosti, Harald Krautscheid|2025|Int.J.Biol.Macromol.|290|138998|doi:10.1016/j.ijbiomac.2024.138998
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.cc2jymx1
title: CCDC 2352184: Experimental Crystal Structure Determination

description: Related Article: Fu Tang, Zhongchao Zhang, Zhen Yang|2024|Tetrahedron Lett.|145|155161|doi:10.1016/j.tetlet.2024.155161
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.cc2jymy2
title: CCDC 2352185: Experimental Crystal Structure Determination

description: Related Article: Le-Song Wu, Tao Zhou, Bing-Feng Shi|2024|Org.Lett.|26|4457|doi:10.1021/acs.orglett.4c01214
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.cc2jymz3
title: CCDC 2352186: Experimental Crystal Structure Determination

description: Related Article: Archana Chutia, Pallav Jyoti Arandhara, Anil K. Saikia|2024|J.Org.Chem.|89|11542|doi:10.1021/acs.joc.4c01245
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.cc2jyn27
title: CCDC 2352189: Experimental Crystal Structure Determination

description: Related Article: Changjiao Lin, Tianle Lu, Xiaomei Lu, Zilu Chen, Dongcheng Liu, Huan-Cheng Hu|2025|Appl.Organomet.Chem.|39|e7979|doi:10.1002/aoc.7979
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.cc2jyn49
title: CCDC 2352191: Experimental Crystal Structure Determination

description: Related Article: Changjiao Lin, Tianle Lu, Xiaomei Lu, Zilu Chen, Dongcheng Liu, Huan-Cheng Hu|2025|Appl.Organomet.Chem.|39|e7979|doi:10.1002/aoc.7979
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.cc2jyn6c
title: CCDC 2352193: Experimental Crystal Structure Determination

description: Related Article: Shaojie Shi, Deguo Liu, Chunle Wei, Jianzhuan Li, Chunni Zhao, Yanping Tian, Xiangdong Li, Runjiang Song, Baoan Song|2025|Int.J.Biol.Macromol.|287|138467|doi:10.1016/j.ijbiomac.2024.138467
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.cc2jyp28
title: CCDC 2352220: Experimental Crystal Structure Determination

description: Related Article: Meng-Jun Xie, Xuan Li, Xin-Xin Li, Li-Hua Wen, Shu-Li Xie, Ke-Wei Zhang, Ya-Nan Duan, Yao Zhang, Dong Li, Hai-Dong Xia |2024|Communications Chemistry|7|273|doi:10.1038/s42004-024-01364-3
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.cc2jyp39
title: CCDC 2352221: Experimental Crystal Structure Determination

description: Related Article: Meng-Jun Xie, Xuan Li, Xin-Xin Li, Li-Hua Wen, Shu-Li Xie, Ke-Wei Zhang, Ya-Nan Duan, Yao Zhang, Dong Li, Hai-Dong Xia |2024|Communications Chemistry|7|273|doi:10.1038/s42004-024-01364-3
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.cc2jypbj
title: CCDC 2352228: Experimental Crystal Structure Determination

description: Related Article: Medha Aggarwal, Ranit Banerjee, Neal Hickey, Partha Sarathi Mukherjee
|2024|Angew.Chem.,Int.Ed.|63|e202411513|doi:10.1002/anie.202411513
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.cc2jypck
title: CCDC 2352229: Experimental Crystal Structure Determination

description: Related Article: Medha Aggarwal, Ranit Banerjee, Neal Hickey, Partha Sarathi Mukherjee
|2024|Angew.Chem.,Int.Ed.|63|e202411513|doi:10.1002/anie.202411513
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.cc2jypdl
title: CSD 2352230: Experimental Crystal Structure Determination

description: Related Article: Andrey Aslandukov, Akun Liang, Amanda Ehn, Florian Trybel, Yuqing Yin, Alena Aslandukova, Fariia I. Akbar, Umbertoluca Ranieri, James Spender, Ross T. Howie, Eleanor Lawrence Bright, Jonathan Wright, Michael Hanfland, Gaston Garbarino, Mohamed Mezouar, Timofey Fedotenko, Igor A. Abrikosov, Natalia Dubrovinskaia, Leonid Dubrovinsky, Dominique Laniel|2024|J.Am.Chem.Soc.|146|18161|doi:10.1021/jacs.4c06068
description: Related Article: Andrey Aslandukov, Akun Liang, Amanda Ehn, Florian Trybel, Yuqing Yin, Alena Aslandukova, Fariia I. Akbar, Umbertoluca Ranieri, James Spender, Ross T. Howie, Eleanor Lawrence Bright, Jonathan Wright, Michael Hanfland, Gaston Garbarino, Mohamed Mezouar, Timofey Fedotenko, Igor A. Abrikosov, Natalia Dubrovinskaia, Leonid Dubrovinsky, Dominique Laniel|2024|J.Am.Chem.Soc.|146|18161|doi:10.1021/jacs.4c06068
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.cc2jypfm
title: CSD 2352231: Experimental Crystal Structure Determination

description: Related Article: Andrey Aslandukov, Akun Liang, Amanda Ehn, Florian Trybel, Yuqing Yin, Alena Aslandukova, Fariia I. Akbar, Umbertoluca Ranieri, James Spender, Ross T. Howie, Eleanor Lawrence Bright, Jonathan Wright, Michael Hanfland, Gaston Garbarino, Mohamed Mezouar, Timofey Fedotenko, Igor A. Abrikosov, Natalia Dubrovinskaia, Leonid Dubrovinsky, Dominique Laniel|2024|J.Am.Chem.Soc.|146|18161|doi:10.1021/jacs.4c06068
description: Related Article: Andrey Aslandukov, Akun Liang, Amanda Ehn, Florian Trybel, Yuqing Yin, Alena Aslandukova, Fariia I. Akbar, Umbertoluca Ranieri, James Spender, Ross T. Howie, Eleanor Lawrence Bright, Jonathan Wright, Michael Hanfland, Gaston Garbarino, Mohamed Mezouar, Timofey Fedotenko, Igor A. Abrikosov, Natalia Dubrovinskaia, Leonid Dubrovinsky, Dominique Laniel|2024|J.Am.Chem.Soc.|146|18161|doi:10.1021/jacs.4c06068
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.cc2jypgn
title: CSD 2352232: Experimental Crystal Structure Determination

description: Related Article: Andrey Aslandukov, Akun Liang, Amanda Ehn, Florian Trybel, Yuqing Yin, Alena Aslandukova, Fariia I. Akbar, Umbertoluca Ranieri, James Spender, Ross T. Howie, Eleanor Lawrence Bright, Jonathan Wright, Michael Hanfland, Gaston Garbarino, Mohamed Mezouar, Timofey Fedotenko, Igor A. Abrikosov, Natalia Dubrovinskaia, Leonid Dubrovinsky, Dominique Laniel|2024|J.Am.Chem.Soc.|146|18161|doi:10.1021/jacs.4c06068
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.cc2jyphp
title: CSD 2352233: Experimental Crystal Structure Determination

description: Related Article: Andrey Aslandukov, Akun Liang, Amanda Ehn, Florian Trybel, Yuqing Yin, Alena Aslandukova, Fariia I. Akbar, Umbertoluca Ranieri, James Spender, Ross T. Howie, Eleanor Lawrence Bright, Jonathan Wright, Michael Hanfland, Gaston Garbarino, Mohamed Mezouar, Timofey Fedotenko, Igor A. Abrikosov, Natalia Dubrovinskaia, Leonid Dubrovinsky, Dominique Laniel|2024|J.Am.Chem.Soc.|146|18161|doi:10.1021/jacs.4c06068
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.cc2jyq4c
title: CCDC 2352253: Experimental Crystal Structure Determination

description: Related Article: Marvin L. Richter, Eduardo Peris, Sergio Gonell|2024|ChemSusChem|17|e202401007|doi:10.1002/cssc.202401007
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.cc2jyq5d
title: CCDC 2352254: Experimental Crystal Structure Determination

description: Related Article: Zheng Yin, Zongliang Xie, Xianhe Zhang, Yufeng Xue, Deqing Zhang, Bin Liu|2025|Angew.Chem.,Int.Ed.|64|e202417868|doi:10.1002/anie.202417868
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.cc2jjtjf
title: CCDC 2339865: Experimental Crystal Structure Determination

description: Related Article: Miaomiao Xue, Lei Zhang, Xiao-Xin Li, Zihao Chen, Fangyuan Kang, Xiang Wang, Qiang Dong, Xin Wang, Chun-Sing Lee, Ya-Qian Lan, Qichun Zhang |2024|Nat.Commun.|15|10026|doi:10.1038/s41467-024-54235-9
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.cc2jyq7g
title: CCDC 2352256: Experimental Crystal Structure Determination

description: Related Article: Marvin L. Richter, Eduardo Peris, Sergio Gonell|2024|ChemSusChem|17|e202401007|doi:10.1002/cssc.202401007
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.cc2jjtkg
title: CCDC 2339866: Experimental Crystal Structure Determination

description: Related Article: Miaomiao Xue, Lei Zhang, Xiao-Xin Li, Zihao Chen, Fangyuan Kang, Xiang Wang, Qiang Dong, Xin Wang, Chun-Sing Lee, Ya-Qian Lan, Qichun Zhang |2024|Nat.Commun.|15|10026|doi:10.1038/s41467-024-54235-9
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.cc2jyqw3
title: CCDC 2352276: Experimental Crystal Structure Determination

description: Related Article: Detao Li, Wenqian Chen, Limin Zhou, Li Xu, Feiqiang He, Jerry Y Y Heng, Hamza Shehzad, Jinbo Ouyang|2024|Cryst.Growth Des.|24|4652|doi:10.1021/acs.cgd.4c00291
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.cc2jyqx4
title: CCDC 2352277: Experimental Crystal Structure Determination

description: Related Article: Detao Li, Wenqian Chen, Limin Zhou, Li Xu, Feiqiang He, Jerry Y Y Heng, Hamza Shehzad, Jinbo Ouyang|2024|Cryst.Growth Des.|24|4652|doi:10.1021/acs.cgd.4c00291
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.cc2jyrgq
title: CCDC 2352294: Experimental Crystal Structure Determination

description: Related Article: Krishna Mhaske, Shon Gangai, Neha Taneja, Rishikesh Narayan|2024|Chem.-Eur.J.|30|e202402929|doi:10.1002/chem.202402929
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.cc2jyry6
title: CCDC 2352309: Experimental Crystal Structure Determination

description: Related Article: Yinwei Bao, Chenggong Zheng, Kangyu Xiong, Chenke Hu, Peng Lu, Yuwen Wang, Zhan Lu|2024|J.Am.Chem.Soc.|146|21089|doi:10.1021/jacs.4c06585
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.cc2jys2c
title: CCDC 2352313: Experimental Crystal Structure Determination

description: Related Article: Jie Zou, Di Zhang, Quoc Huy Thi, Weilong Chen, Gan Xu, Zhenpin Lu, Thuc Hue Ly, Jingdong Luo|2024|ChemPlusChem|89|e202400320|doi:10.1002/cplu.202400320
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.cc2jys3d
title: CCDC 2352314: Experimental Crystal Structure Determination

description: Related Article: Jie Zou, Di Zhang, Quoc Huy Thi, Weilong Chen, Gan Xu, Zhenpin Lu, Thuc Hue Ly, Jingdong Luo|2024|ChemPlusChem|89|e202400320|doi:10.1002/cplu.202400320
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.cc2j0fpp
title: CCDC 2324122: Experimental Crystal Structure Determination

description: Related Article: Liye Wang,  Xiaofan Zhang,  Hongxu Dong|2024|Z.Kristallogr.-New Cryst.Struct.|239|593|doi:10.1515/ncrs-2024-0080
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.cc2jyscn
title: CCDC 2352322: Experimental Crystal Structure Determination

description: Related Article: Yann Pauvert, André B. Charette|2024|Org.Lett.|26|6081|doi:10.1021/acs.orglett.4c01622
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.cc2jyt0b
title: CCDC 2352342: Experimental Crystal Structure Determination

description: Related Article: Danyang Huang, Bing He, Yipei Zhao, Mengqing Liu, Lianke Wang|2025|J.Mol.Struct.|1325|141021|doi:10.1016/j.molstruc.2024.141021
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.cc2jyt1c
title: CCDC 2352343: Experimental Crystal Structure Determination

description: Related Article: Danyang Huang, Bing He, Yipei Zhao, Mengqing Liu, Lianke Wang|2025|J.Mol.Struct.|1325|141021|doi:10.1016/j.molstruc.2024.141021
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.cc2gfgyb
title: CCDC 2277072: Experimental Crystal Structure Determination

description: Related Article: Zuliang  Chen|2023|CSD Communication|||
description: Related Article: Du Yuchang,  Li Guoxiang,  Zeng Guimei,  He Xiaobing,  Zou Shengqin,  Chen Zuliang|2024|Z.Kristallogr.-New Cryst.Struct.|239|669|doi:10.1515/ncrs-2024-0130
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.cc2jyt4g
title: CCDC 2352346: Experimental Crystal Structure Determination

description: Related Article: Qiu-Chen Mao,  Xiao-Jie Gong,  Si-Yu Zhou,  Bao-Kuan Chen|2024|Z.Kristallogr.-New Cryst.Struct.|239|657|doi:10.1515/ncrs-2024-0127
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.cc2jytdq
title: CCDC 2352354: Experimental Crystal Structure Determination

description: Related Article: Qiupeng Peng, Meemie U. Hwang, Ángel Rentería-Gómez, Poulami Mukherjee, Ryan M. Young, Yunfan Qiu, Michael R. Wasielewski, Osvaldo Gutierrez, Karl A. Scheidt|2024|Science|385|1471|doi:10.1126/science.adr0771
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.cc2jytfr
title: CCDC 2352355: Experimental Crystal Structure Determination

description: Related Article: Qiupeng Peng, Meemie U. Hwang, Ángel Rentería-Gómez, Poulami Mukherjee, Ryan M. Young, Yunfan Qiu, Michael R. Wasielewski, Osvaldo Gutierrez, Karl A. Scheidt|2024|Science|385|1471|doi:10.1126/science.adr0771
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.