cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2fk1nq
title: CCDC 2250713: Experimental Crystal Structure Determination

description: Related Article: Juan-Pablo García-Merinos, Rebeca Yépez, Claudia M. Ramírez-Lozano, Susana Rincón, Ma. Eugenia Ochoa, Yliana López, Norberto Farfán, Rosa Santillan |2023|Nat.Prod.Commun.|18||doi:10.1177/1934578X231212341
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.cc2fk1qs
title: CSD 2250715: Experimental Crystal Structure Determination

description: Related Article: Sungjun Yang, Jong Hoon Lee, Tae Joo Shin, Sangmoon Park|2023|Inorg.Chem.|62|11073|doi:10.1021/acs.inorgchem.3c01121
description: Related Article: Sungjun Yang, Jong Hoon Lee, Tae Joo Shin, Sangmoon Park|2023|Inorg.Chem.|62|11073|doi:10.1021/acs.inorgchem.3c01121
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.cc2fjy75
title: CCDC 2250607: Experimental Crystal Structure Determination

description: Related Article: Xia-xin Sheng, Yu-jia Du, Jun-hua Li, Qiao-qiao Teng, Ming Chen|2023|Org.Lett.|25|3664|doi:10.1021/acs.orglett.3c01030
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.cc2fjy97
title: CCDC 2250609: Experimental Crystal Structure Determination

description: Related Article: Yu-jia Du, Xia-xin Sheng, Lu-ning Tang, Jia-ming Chen, Guo-ying Liu, Hao Hu, Sen Yang, Lei Zhu, Ming Chen|2024|Org.Lett.|26|2662|doi:10.1021/acs.orglett.4c00979
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.cc2fjyc9
title: CCDC 2250611: Experimental Crystal Structure Determination

description: Related Article: Yu-jia Du, Xia-xin Sheng, Lu-ning Tang, Jia-ming Chen, Guo-ying Liu, Hao Hu, Sen Yang, Lei Zhu, Ming Chen|2024|Org.Lett.|26|2662|doi:10.1021/acs.orglett.4c00979
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.cc2fjyhf
title: CCDC 2250615: Experimental Crystal Structure Determination

description: Related Article: Jinmiao Wang, Lulu Wang, Ruixue Wu, Chuanbin Fan, Xia Zhang, Yuhua Fan|2024|Inorg.Chem.|63|11542|doi:10.1021/acs.inorgchem.4c00449
description: Related Article: Jinmiao Wang, Lulu Wang, Ruixue Wu, Chuanbin Fan, Xia Zhang, Yuhua Fan|2024|Inorg.Chem.|63|11542|doi:10.1021/acs.inorgchem.4c00449
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.cc2fjyjg
title: CCDC 2250616: Experimental Crystal Structure Determination

description: Related Article: Jinmiao Wang, Lulu Wang, Ruixue Wu, Chuanbin Fan, Xia Zhang, Yuhua Fan|2024|Inorg.Chem.|63|11542|doi:10.1021/acs.inorgchem.4c00449
description: Related Article: Jinmiao Wang, Lulu Wang, Ruixue Wu, Chuanbin Fan, Xia Zhang, Yuhua Fan|2024|Inorg.Chem.|63|11542|doi:10.1021/acs.inorgchem.4c00449
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.cc2fk1sv
title: CCDC 2250717: Experimental Crystal Structure Determination

description: Related Article: Peng Zhou, Wei-Tao Yang, Wen-Juan Hao, Bo Jiang|2023|Org.Lett.|25|8495|doi:10.1021/acs.orglett.3c03479
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.cc2fjykh
title: CCDC 2250617: Experimental Crystal Structure Determination

description: Related Article: Nana Chen, Xiuting Gao, Mengying Liu, Chuansheng Cui, Qingfu Zhang|2023|Supramol.Chem.|34|1|doi:10.1080/10610278.2023.2260042
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.cc2fjynl
title: CCDC 2250620: Experimental Crystal Structure Determination

description: Related Article: Meng-Qi Sun, Shi-Jing Zhai, Jing Nie, Ying Cheng, Xiaojuan Deng, Guosheng Ding, Dominique Cahard, Jun-An Ma, Fa-Guang Zhang|2024|ChemCatChem|17|e202401622|doi:10.1002/cctc.202401622
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.cc2fjypm
title: CCDC 2250621: Experimental Crystal Structure Determination

description: Related Article: Meng-Qi Sun, Shi-Jing Zhai, Jing Nie, Ying Cheng, Xiaojuan Deng, Guosheng Ding, Dominique Cahard, Jun-An Ma, Fa-Guang Zhang|2024|ChemCatChem|17|e202401622|doi:10.1002/cctc.202401622
description: Related Article: Xin-Yi Shi, Xueyuan Yan, Xiaodong Tang, Shi-Jing Zhai, Genping Huang, Jun-An Ma, Fa-Guang Zhang|2024|Org.Chem.Front.|11|6459|doi:10.1039/D4QO01555J
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.cc2fjywt
title: CCDC 2250627: Experimental Crystal Structure Determination

description: Related Article: Weikang Jiang, Weichen Huang, Meichen Xu, Xuebing Leng, Long Lu, Qilong Shen|2023|Chem.-Eur.J.|29||doi:10.1002/chem.202300991
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.cc2fjyxv
title: CCDC 2250628: Experimental Crystal Structure Determination

description: Related Article: Weikang Jiang, Weichen Huang, Meichen Xu, Xuebing Leng, Long Lu, Qilong Shen|2023|Chem.-Eur.J.|29||doi:10.1002/chem.202300991
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.cc2fjz0z
title: CSD 2250631: Experimental Crystal Structure Determination

description: Related Article: Yue Wang, Yongfang Shi, Yuan Lin, Zhe Chen, Liting Li|2023|Inorg.Chem.Commun.|153|110829|doi:10.1016/j.inoche.2023.110829
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.cc2fk214
title: CCDC 2250725: Experimental Crystal Structure Determination

description: Related Article: Yue Wu, Xiao-Meng Zhen, Bo Zhang|2023|Inorg.Chem.|62|19573|doi:10.1021/acs.inorgchem.3c02888
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.cc2fjq5w
title: CCDC 2250388: Experimental Crystal Structure Determination

description: Related Article: Chaohong Jia, Yeye She, Yanhua Lu, Mengxiang Wu, Xiaohan Yang, Ling Chen, Yahong Li|2023|Inorg.Chem.|62|14072|doi:10.1021/acs.inorgchem.3c02208
description: Related Article: Chaohong Jia, Yeye She, Yanhua Lu, Mengxiang Wu, Xiaohan Yang, Ling Chen, Yahong Li|2023|Inorg.Chem.|62|14072|doi:10.1021/acs.inorgchem.3c02208
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.cc2fk225
title: CSD 2250726: Experimental Crystal Structure Determination

description: Related Article: Lu-Hua Zhang, Yangting Jia, Jiayu Zhan, Guomeng Liu, Guanhua Liu, Fei Li, Fengshou Yu|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202303483
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.cc2fk236
title: CSD 2250727: Experimental Crystal Structure Determination

description: Related Article: Lu-Hua Zhang, Yangting Jia, Jiayu Zhan, Guomeng Liu, Guanhua Liu, Fei Li, Fengshou Yu|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202303483
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.cc2fk258
title: CSD 2250729: Experimental Crystal Structure Determination

description: Related Article: Lu-Hua Zhang, Yangting Jia, Jiayu Zhan, Guomeng Liu, Guanhua Liu, Fei Li, Fengshou Yu|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202303483
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.cc2fk269
title: CSD 2250730: Experimental Crystal Structure Determination

description: Related Article: Lu-Hua Zhang, Yangting Jia, Jiayu Zhan, Guomeng Liu, Guanhua Liu, Fei Li, Fengshou Yu|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202303483
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.cc2fk247
title: CSD 2250728: Experimental Crystal Structure Determination

description: Related Article: Lu-Hua Zhang, Yangting Jia, Jiayu Zhan, Guomeng Liu, Guanhua Liu, Fei Li, Fengshou Yu|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202303483
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.cc2fk27b
title: CSD 2250731: Experimental Crystal Structure Determination

description: Related Article: Lu-Hua Zhang, Yangting Jia, Jiayu Zhan, Guomeng Liu, Guanhua Liu, Fei Li, Fengshou Yu|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202303483
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.cc2fk2nr
title: CSD 2250744: Experimental Crystal Structure Determination

description: Related Article: Lu-Hua Zhang, Yangting Jia, Jiayu Zhan, Guomeng Liu, Guanhua Liu, Fei Li, Fengshou Yu|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202303483
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.cc2fjz98
title: CCDC 2250640: Experimental Crystal Structure Determination

description: Related Article: Abhay Pratap Singh, Jubaraj B. Baruah|2023|ACS Omega|8|30776|doi:10.1021/acsomega.3c05132
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.cc2fjzb9
title: CCDC 2250641: Experimental Crystal Structure Determination

description: Related Article: Abhay Pratap Singh, Jubaraj B. Baruah|2023|ACS Omega|8|30776|doi:10.1021/acsomega.3c05132
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.cc2fjzcb
title: CCDC 2250642: Experimental Crystal Structure Determination

description: Related Article: Abhay Pratap Singh, Jubaraj B. Baruah|2023|ACS Omega|8|30776|doi:10.1021/acsomega.3c05132
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.cc2fjzvt
title: CCDC 2250657: Experimental Crystal Structure Determination

description: Related Article: S. Dharani, Vincent M. Lynch, R. Prabhakaran|2023|Chem. Inorg. Mater.|1|100018|doi:10.1016/j.cinorg.2023.100018
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.cc2fhzsq
title: CCDC 2249694: Experimental Crystal Structure Determination

description: Related Article: Xiaopeng Zhang, Wen-Huang Xu, Wenwei Zheng, Sheng-Qun Su, Yu-Bo Huang, Qirui Shui, Tianchi Ji, Mikoto Uematsu, Qian Chen, Masashi Tokunaga, Kaige Gao, Atsushi Okazawa, Shinji Kanegawa, Shu-Qi Wu, Osamu Sato|2023|J.Am.Chem.Soc.|145|15647|doi:10.1021/jacs.3c02977
description: Related Article: Xiaopeng Zhang, Wen-Huang Xu, Wenwei Zheng, Sheng-Qun Su, Yu-Bo Huang, Qirui Shui, Tianchi Ji, Mikoto Uematsu, Qian Chen, Masashi Tokunaga, Kaige Gao, Atsushi Okazawa, Shinji Kanegawa, Shu-Qi Wu, Osamu Sato|2023|J.Am.Chem.Soc.|145|15647|doi:10.1021/jacs.3c02977
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.cc2fk0cd
title: CCDC 2250673: Experimental Crystal Structure Determination

description: Related Article: Ao-gang Liu, Xiao-yu Meng, Yuan Chen, Zi-tong Chen, Peng-da Liu, Bao Li|2024|ACS Applied Materials and Interfaces|16|669|doi:10.1021/acsami.3c14588
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.cc2fk0kl
title: CCDC 2250679: Experimental Crystal Structure Determination

description: Related Article: Mohaddeseh Taherian, Bita Shafaatian, Behrouz Notash|2024|Inorg.Chim.Acta|566|122014|doi:10.1016/j.ica.2024.122014
description: Related Article: Mohaddeseh Taherian, Bita Shafaatian, Behrouz Notash|2024|Inorg.Chim.Acta|566|122014|doi:10.1016/j.ica.2024.122014
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.cc2fk0qr
title: CCDC 2250684: Experimental Crystal Structure Determination

description: Related Article: Zi-Yi Du, Jing Guo, Shi-Yong Zhang, Chenghui Zeng, Zhong-Gao Zhou, Miao Xie, Chun-Ting He, Wei-Xiong Zhang, Xiao-Ming Chen|2024|CSD Communication|||
description: Related Article: Jing Guo, Shi-Yong Zhang, Cheng-Hui Zeng, Zhong-Gao Zhou, Miao Xie, Zi-Yi Du, Chun-Ting He, Wei-Xiong Zhang, Xiao-Ming Chen|2023|J.Phys.Chem.Lett.|14|8009|doi:10.1021/acs.jpclett.3c01961
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.cc2fk0rs
title: CCDC 2250685: Experimental Crystal Structure Determination

description: Related Article: Jing Guo, Shi-Yong Zhang, Cheng-Hui Zeng, Zhong-Gao Zhou, Miao Xie, Zi-Yi Du, Chun-Ting He, Wei-Xiong Zhang, Xiao-Ming Chen|2023|J.Phys.Chem.Lett.|14|8009|doi:10.1021/acs.jpclett.3c01961
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.cc2fk0tv
title: CCDC 2250687: Experimental Crystal Structure Determination

description: Related Article: Jing Guo, Shi-Yong Zhang, Cheng-Hui Zeng, Zhong-Gao Zhou, Miao Xie, Zi-Yi Du, Chun-Ting He, Wei-Xiong Zhang, Xiao-Ming Chen|2023|J.Phys.Chem.Lett.|14|8009|doi:10.1021/acs.jpclett.3c01961
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.cc2fk0vw
title: CCDC 2250688: Experimental Crystal Structure Determination

description: Related Article: Jing Guo, Shi-Yong Zhang, Cheng-Hui Zeng, Zhong-Gao Zhou, Miao Xie, Zi-Yi Du, Chun-Ting He, Wei-Xiong Zhang, Xiao-Ming Chen|2023|J.Phys.Chem.Lett.|14|8009|doi:10.1021/acs.jpclett.3c01961
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.