cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2brkqd
title: CCDC 2167604: Experimental Crystal Structure Determination

description: Related Article: Katsuhiko Tomooka, Chisato Iso, Yukiho Hashimoto, Masaki Suzuki, Yuuya Kawasaki, Kazunobu Igawa|2022|Chem.Lett.|51|788|doi:10.1246/cl.220219
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: 10.6084/m9.figshare.28642406.v17
title: Matbench Discovery - Model Predictions for Geometry Optimization

description: This dataset contains model predictions from various models evaluated on the
 Matbench Discovery benchmark for the geometry optimization task.

 Task description: Relaxing atomic positions to minimize the energy

 For more information about the benchmark and models, visit:
 https://github.com/janosh/matbench-discovery.
DOI: 10.25505/fiz.icsd.cc2brl3t
title: CSD 2167616: Experimental Crystal Structure Determination

description: Related Article: Sheng Cai, Xiang-Yu Kong, Xiao-Yuan Wu, Weiming Wu, Sa-Sa Wang, Can-Zhong Lu|2023|Inorg.Chem.Commun.|154|110912|doi:10.1016/j.inoche.2023.110912
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.cc2brl1r
title: CCDC 2167614: Experimental Crystal Structure Determination

description: Related Article: Cheng Yuan, Jiatong Wang, Gangqiang Wang, Shaofa Sun, Jian Wang|2023|Asian J.Org.Chem|12||doi:10.1002/ajoc.202200671
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.cc2brlg5
title: CCDC 2167627: Experimental Crystal Structure Determination

description: Related Article: Ka Yee Yee, Man Pan Leung, Man Ho Tse, Pui Ying Choy, Fuk Yee Kwong|2022|Eur.J.Inorg.Chem.|2022||doi:10.1002/ejic.202200288
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.cc2brlk8
title: CCDC 2167630: Experimental Crystal Structure Determination

description: Related Article: Le-Chuan Feng, Lin Dou, Xiao-Xia Li, Wen-Kui Dong|2022|Polyhedron|224|116024|doi:10.1016/j.poly.2022.116024
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.cc2brlmb
title: CCDC 2167632: Experimental Crystal Structure Determination

description: Related Article: Fangrui Zheng, Yuhong Yang, Siye Wu, Shunan Zhao, Yifan Zhu, Huimin Su, Jun-Feng Dai, Zeyin Yan, Lung Wa Chung, Keith Man-Chung Wong|2022|Communications Chemistry|5|159|doi:10.1038/s42004-022-00775-4
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.cc2brlnc
title: CCDC 2167633: Experimental Crystal Structure Determination

description: Related Article: Fangrui Zheng, Yuhong Yang, Siye Wu, Shunan Zhao, Yifan Zhu, Huimin Su, Jun-Feng Dai, Zeyin Yan, Lung Wa Chung, Keith Man-Chung Wong|2022|Communications Chemistry|5|159|doi:10.1038/s42004-022-00775-4
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.cc2brlpd
title: CCDC 2167634: Experimental Crystal Structure Determination

description: Related Article: Fangrui Zheng, Yuhong Yang, Siye Wu, Shunan Zhao, Yifan Zhu, Huimin Su, Jun-Feng Dai, Zeyin Yan, Lung Wa Chung, Keith Man-Chung Wong|2022|Communications Chemistry|5|159|doi:10.1038/s42004-022-00775-4
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.cc2brlrg
title: CCDC 2167636: Experimental Crystal Structure Determination

description: Related Article: Fangrui Zheng, Yuhong Yang, Siye Wu, Shunan Zhao, Yifan Zhu, Huimin Su, Jun-Feng Dai, Zeyin Yan, Lung Wa Chung, Keith Man-Chung Wong|2022|Communications Chemistry|5|159|doi:10.1038/s42004-022-00775-4
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.cc2brlsh
title: CCDC 2167637: Experimental Crystal Structure Determination

description: Related Article: Fangrui Zheng, Yuhong Yang, Siye Wu, Shunan Zhao, Yifan Zhu, Huimin Su, Jun-Feng Dai, Zeyin Yan, Lung Wa Chung, Keith Man-Chung Wong|2022|Communications Chemistry|5|159|doi:10.1038/s42004-022-00775-4
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.cc2brltj
title: CCDC 2167638: Experimental Crystal Structure Determination

description: Related Article: Fangrui Zheng, Yuhong Yang, Siye Wu, Shunan Zhao, Yifan Zhu, Huimin Su, Jun-Feng Dai, Zeyin Yan, Lung Wa Chung, Keith Man-Chung Wong|2022|Communications Chemistry|5|159|doi:10.1038/s42004-022-00775-4
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.cc2brlwl
title: CCDC 2167640: Experimental Crystal Structure Determination

description: Related Article: S. E. Tolstikov,  D. E. Efanov,  G. V. Romanenko,  M. P. Egorov,  V. I. Ovcharenko|2022|Izv.Akad.Nauk SSSR,Ser.Khim.|71|1821|doi:10.1007/s11172-022-3595-y
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2brlxm
title: CCDC 2167641: Experimental Crystal Structure Determination

description: Related Article: Rajani Kanta Mahato, Soumik Das, Mayank Joshi, Angshuman Roy Choudhury, Anirban Misra, Bhaskar Biswas|2022|Appl.Organomet.Chem.|36|e6483|doi:10.1002/aoc.6483
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.cc2brmmc
title: CCDC 2167663: Experimental Crystal Structure Determination

description: Related Article: Alexander A. Bredikhin, Robert R. Fayzullin, Zemfira A. Bredikhina|2022|Symmetry|14|1150|doi:10.3390/sym14061150
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.cc2brmnd
title: CCDC 2167664: Experimental Crystal Structure Determination

description: Related Article: Alexander A. Bredikhin, Robert R. Fayzullin, Zemfira A. Bredikhina|2022|Symmetry|14|1150|doi:10.3390/sym14061150
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.cc2brmpf
title: CCDC 2167665: Experimental Crystal Structure Determination

description: Related Article: Alexander A. Bredikhin, Robert R. Fayzullin, Zemfira A. Bredikhina|2022|Symmetry|14|1150|doi:10.3390/sym14061150
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.cc2brmyp
title: CSD 2167673: Experimental Crystal Structure Determination

description: Related Article: Yuriy G. Denisenko, Victor V. Atuchin, Maxim S. Molokeev, Alexander E. Sedykh, Nikolay A. Khritokhin, Aleksandr S. Aleksandrovsky, Aleksandr S. Oreshonkov, Nikolai P. Shestakov, Sergey V. Adichtchev, Alexey M. Pugachev, Elena I. Sal’nikova, Oleg V. Andreev, Illaria A. Razumkova, Klaus Müller-Buschbaum|2022|Molecules|27|3966|doi:10.3390/molecules27133966
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.cc2brp82
title: CCDC 2167714: Experimental Crystal Structure Determination

description: Related Article: Yongxiang Song|2023|CSD Communication|||
description: Related Article: Yongxiang Song, Xiaoyue Li, Jianhua Ju|2023|Redai Haiyang Xuebao|42|169|doi:10.11978/2022107
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.cc2brmzq
title: CSD 2167674: Experimental Crystal Structure Determination

description: Related Article: Yuriy G. Denisenko, Victor V. Atuchin, Maxim S. Molokeev, Alexander E. Sedykh, Nikolay A. Khritokhin, Aleksandr S. Aleksandrovsky, Aleksandr S. Oreshonkov, Nikolai P. Shestakov, Sergey V. Adichtchev, Alexey M. Pugachev, Elena I. Sal’nikova, Oleg V. Andreev, Illaria A. Razumkova, Klaus Müller-Buschbaum|2022|Molecules|27|3966|doi:10.3390/molecules27133966
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.cc2brn1t
title: CCDC 2167676: Experimental Crystal Structure Determination

description: Related Article: Irfan Sahin|2022|J.Struct.Chem.|63|1787|doi:10.1134/S0022476622110087
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.cc2brn3w
title: CCDC 2167678: Experimental Crystal Structure Determination

description: Related Article: jinshan hu|2022|CSD Communication|||
description: Related Article: Yu-Pei He, Ze-Kun Zhang, Ze-Jun Li, Ping-Ping Wu, Jin-Shan Hu, Hao Fan, Cui-Xian Zhang|2024|Fitoterapia|177|106136|doi:10.1016/j.fitote.2024.106136
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.cc2brn4x
title: CCDC 2167679: Experimental Crystal Structure Determination

description: Related Article: Yu-Pei He, Ze-Kun Zhang, Ze-Jun Li, Ping-Ping Wu, Jin-Shan Hu, Hao Fan, Cui-Xian Zhang|2024|Fitoterapia|177|106136|doi:10.1016/j.fitote.2024.106136
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.cc2b65zq
title: CCDC 2150903: Experimental Crystal Structure Determination

description: Related Article: Baptiste Taffoureau, Isabelle Gillaizeau, Pascal Retailleau, Cyril Nicolas|2022|Molbank|2022|M1382|doi:10.3390/M1382
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.cc2brn5y
title: CCDC 2167680: Experimental Crystal Structure Determination

description: Related Article: Yu-Pei He, Ze-Kun Zhang, Ze-Jun Li, Ping-Ping Wu, Jin-Shan Hu, Hao Fan, Cui-Xian Zhang|2024|Fitoterapia|177|106136|doi:10.1016/j.fitote.2024.106136
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.cc2brpb4
title: CCDC 2167716: Experimental Crystal Structure Determination

description: Related Article: Jyothi Yadav, Arun Patel, Atul Jankiram Dolas, Eldhose Iype, Krishnan Rangan, Indresh Kumar|2024|Angew.Chem.,Int.Ed.|64|e202416042|doi:10.1002/anie.202416042
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.cc2brq83
title: CCDC 2167745: Experimental Crystal Structure Determination

description: Related Article: Sreela Ramesh, Eliška Skořepová, Václav Eigner, Vaisakh Chelod Paingad, Vít Zvoníček, Petr Kužel, Miroslav Šoóš|2023|Cryst.Growth Des.|23|168|doi:10.1021/acs.cgd.2c00847
description: Related Article: Sreela Ramesh, Eliška Skořepová, Václav Eigner, Vaisakh  Chelod Paingad, Vit Zvonicek, Petr Kuzel, Miroslav Soos|2025|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.cc2brqf8
title: CCDC 2167750: Experimental Crystal Structure Determination

description: Related Article: Yin-Xia Sun, Juan Li, Jin-Guo Li, Zhe-Peng Deng, Yu Sun, Li Xu|2022|J.Coord.Chem.|75|1|doi:10.1080/00958972.2022.2114831
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.cc2brqg9
title: CCDC 2167751: Experimental Crystal Structure Determination

description: Related Article: Yin-Xia Sun, Juan Li, Jin-Guo Li, Zhe-Peng Deng, Yu Sun, Li Xu|2022|J.Coord.Chem.|75|1|doi:10.1080/00958972.2022.2114831
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.cc27x7jy
title: CCDC 2082720: Experimental Crystal Structure Determination

description: Related Article: Xinyuan Liu, Fuxing Shi, Chaochao Jin, Binbin Liu, Ming Lei, Jiajing Tan|2022|J.Catalysis|413|1089|doi:10.1016/j.jcat.2022.08.008
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: 10.5517/ccdc.csd.cc2brqvp
title: CCDC 2167763: Experimental Crystal Structure Determination

description: Related Article: Lei Gao, Wen-Yan Zheng, Wei-Ling Yang, Xian-Rui Zhang|2022|J.Mol.Struct.|1268|133725|doi:10.1016/j.molstruc.2022.133725
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.cc2brqwq
title: CCDC 2167764: Experimental Crystal Structure Determination

description: Related Article: Lei Gao, Wen-Yan Zheng, Wei-Ling Yang, Xian-Rui Zhang|2022|J.Mol.Struct.|1268|133725|doi:10.1016/j.molstruc.2022.133725
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.cc2brr0w
title: CCDC 2167768: Experimental Crystal Structure Determination

description: Related Article: Jan-Willem Lamberink, Paul D. Boyle, Joe B. Gilroy, James J. Noel, Johanna M. Blacquiere, Paul J. Ragogna|2022|Chem.-Eur.J.|28|e202201565|doi:10.1002/chem.202201565
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.cc2brr1x
title: CCDC 2167769: Experimental Crystal Structure Determination

description: Related Article: Jan-Willem Lamberink, Paul D. Boyle, Joe B. Gilroy, James J. Noel, Johanna M. Blacquiere, Paul J. Ragogna|2022|Chem.-Eur.J.|28|e202201565|doi:10.1002/chem.202201565
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.cc2brrgb
title: CCDC 2167782: Experimental Crystal Structure Determination

description: Related Article: Xiao-Yu Zhang, Bei-Bei Zhao, Shi-Jie Huang, Jun-Ya Song, Xin-Fang Liu|2022|Z.Kristallogr.-New Cryst.Struct.|237|953|doi:10.1515/ncrs-2022-0289
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.cc2brrvq
title: CCDC 2167794: Experimental Crystal Structure Determination

description: Related Article: Wuqian Guo, Haojie Xu, Yu Ma, Yi Liu, Beibei Wang, Liwei Tang, Lina Hua, Junhua Luo, Zhihua Sun|2022|Adv.Funct.Mater.|32|2207854|doi:10.1002/adfm.202207854
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.