cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc28n706
title: CCDC 2104807: Experimental Crystal Structure Determination

description: Related Article: Adrian‐Alexandru Someșan, Sabina‐Mădălina Vieriu, Alexandru Crăciun, Cristian Silvestru, Paul Chiroi, Andreea Nutu, Ancuta Jurj, Raduly Lajos, Ioana Berindan‐Neagoe, Richard A. Varga|2022|Appl.Organomet.Chem.|36|e6540|doi:10.1002/aoc.6540
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.cc28n717
title: CCDC 2104808: Experimental Crystal Structure Determination

description: Related Article: Adrian‐Alexandru Someșan, Sabina‐Mădălina Vieriu, Alexandru Crăciun, Cristian Silvestru, Paul Chiroi, Andreea Nutu, Ancuta Jurj, Raduly Lajos, Ioana Berindan‐Neagoe, Richard A. Varga|2022|Appl.Organomet.Chem.|36|e6540|doi:10.1002/aoc.6540
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.cc28n728
title: CCDC 2104809: Experimental Crystal Structure Determination

description: Related Article: Adrian‐Alexandru Someșan, Sabina‐Mădălina Vieriu, Alexandru Crăciun, Cristian Silvestru, Paul Chiroi, Andreea Nutu, Ancuta Jurj, Raduly Lajos, Ioana Berindan‐Neagoe, Richard A. Varga|2022|Appl.Organomet.Chem.|36|e6540|doi:10.1002/aoc.6540
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.cc28n739
title: CCDC 2104810: Experimental Crystal Structure Determination

description: Related Article: Adrian‐Alexandru Someșan, Sabina‐Mădălina Vieriu, Alexandru Crăciun, Cristian Silvestru, Paul Chiroi, Andreea Nutu, Ancuta Jurj, Raduly Lajos, Ioana Berindan‐Neagoe, Richard A. Varga|2022|Appl.Organomet.Chem.|36|e6540|doi:10.1002/aoc.6540
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.cc28n74b
title: CCDC 2104811: Experimental Crystal Structure Determination

description: Related Article: Adrian‐Alexandru Someșan, Sabina‐Mădălina Vieriu, Alexandru Crăciun, Cristian Silvestru, Paul Chiroi, Andreea Nutu, Ancuta Jurj, Raduly Lajos, Ioana Berindan‐Neagoe, Richard A. Varga|2022|Appl.Organomet.Chem.|36|e6540|doi:10.1002/aoc.6540
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.cc28n75c
title: CCDC 2104812: Experimental Crystal Structure Determination

description: Related Article: Adrian‐Alexandru Someșan, Sabina‐Mădălina Vieriu, Alexandru Crăciun, Cristian Silvestru, Paul Chiroi, Andreea Nutu, Ancuta Jurj, Raduly Lajos, Ioana Berindan‐Neagoe, Richard A. Varga|2022|Appl.Organomet.Chem.|36|e6540|doi:10.1002/aoc.6540
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.cc28n77f
title: CCDC 2104814: Experimental Crystal Structure Determination

description: Related Article: Yafei Shi, Yi Zeng, Pavel Kucheryavy, Xiaodong Yin, Kai Zhang, Guoyun Meng, Jinfa Chen, Qian Zhu, Nan Wang, Xiaoyan Zheng, Frieder Jäkle, Pangkuan Chen|2022|Angew.Chem.,Int.Ed.|61|e202213615|doi:10.1002/anie.202213615
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.cc28n78g
title: CCDC 2104815: Experimental Crystal Structure Determination

description: Related Article: Yafei Shi, Yi Zeng, Pavel Kucheryavy, Xiaodong Yin, Kai Zhang, Guoyun Meng, Jinfa Chen, Qian Zhu, Nan Wang, Xiaoyan Zheng, Frieder Jäkle, Pangkuan Chen|2022|Angew.Chem.,Int.Ed.|61|e202213615|doi:10.1002/anie.202213615
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.cc28n79h
title: CCDC 2104816: Experimental Crystal Structure Determination

description: Related Article: Yafei Shi, Yi Zeng, Pavel Kucheryavy, Xiaodong Yin, Kai Zhang, Guoyun Meng, Jinfa Chen, Qian Zhu, Nan Wang, Xiaoyan Zheng, Frieder Jäkle, Pangkuan Chen|2022|Angew.Chem.,Int.Ed.|61|e202213615|doi:10.1002/anie.202213615
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.cc28n7bj
title: CCDC 2104817: Experimental Crystal Structure Determination

description: Related Article: Yafei Shi, Yi Zeng, Pavel Kucheryavy, Xiaodong Yin, Kai Zhang, Guoyun Meng, Jinfa Chen, Qian Zhu, Nan Wang, Xiaoyan Zheng, Frieder Jäkle, Pangkuan Chen|2022|Angew.Chem.,Int.Ed.|61|e202213615|doi:10.1002/anie.202213615
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.cc28n7ck
title: CCDC 2104818: Experimental Crystal Structure Determination

description: Related Article: Yafei Shi, Yi Zeng, Pavel Kucheryavy, Xiaodong Yin, Kai Zhang, Guoyun Meng, Jinfa Chen, Qian Zhu, Nan Wang, Xiaoyan Zheng, Frieder Jäkle, Pangkuan Chen|2022|Angew.Chem.,Int.Ed.|61|e202213615|doi:10.1002/anie.202213615
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.cc28n7dl
title: CCDC 2104819: Experimental Crystal Structure Determination

description: Related Article: Yafei Shi, Yi Zeng, Pavel Kucheryavy, Xiaodong Yin, Kai Zhang, Guoyun Meng, Jinfa Chen, Qian Zhu, Nan Wang, Xiaoyan Zheng, Frieder Jäkle, Pangkuan Chen|2022|Angew.Chem.,Int.Ed.|61|e202213615|doi:10.1002/anie.202213615
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.cc28n7fm
title: CCDC 2104820: Experimental Crystal Structure Determination

description: Related Article: Yafei Shi, Yi Zeng, Pavel Kucheryavy, Xiaodong Yin, Kai Zhang, Guoyun Meng, Jinfa Chen, Qian Zhu, Nan Wang, Xiaoyan Zheng, Frieder Jäkle, Pangkuan Chen|2022|Angew.Chem.,Int.Ed.|61|e202213615|doi:10.1002/anie.202213615
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.cc28n7gn
title: CCDC 2104821: Experimental Crystal Structure Determination

description: Related Article: Yafei Shi, Yi Zeng, Pavel Kucheryavy, Xiaodong Yin, Kai Zhang, Guoyun Meng, Jinfa Chen, Qian Zhu, Nan Wang, Xiaoyan Zheng, Frieder Jäkle, Pangkuan Chen|2022|Angew.Chem.,Int.Ed.|61|e202213615|doi:10.1002/anie.202213615
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.cc28n7hp
title: CCDC 2104822: Experimental Crystal Structure Determination

description: Related Article: Yafei Shi, Yi Zeng, Pavel Kucheryavy, Xiaodong Yin, Kai Zhang, Guoyun Meng, Jinfa Chen, Qian Zhu, Nan Wang, Xiaoyan Zheng, Frieder Jäkle, Pangkuan Chen|2022|Angew.Chem.,Int.Ed.|61|e202213615|doi:10.1002/anie.202213615
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.cc28b8fb
title: CCDC 2095241: Experimental Crystal Structure Determination

description: Related Article: I. A. Litvinov,  V. V. Brusko,  D. A. Safin,  O. A. Lodochnikova|2022|J.Struct.Chem.|63|272|doi:10.1134/S0022476622020081
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.cc28b8gc
title: CCDC 2095242: Experimental Crystal Structure Determination

description: Related Article: I. A. Litvinov,  V. V. Brusko,  D. A. Safin,  O. A. Lodochnikova|2022|J.Struct.Chem.|63|272|doi:10.1134/S0022476622020081
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.cc28n7nv
title: CCDC 2104827: Experimental Crystal Structure Determination

description: Related Article: Shao-Zhuang Zhang, Chi-Xiao Ma, Hai-Yang Guo, Jian-Hui She, Jun-Yong Zhang, Yan-Bo Shi, Guo-Dong Li, Xiao-Ming Ren, Jing-Li Xie|2022|Wuji Huaxue Xuebao|38|353|doi:10.11862/CJIC.2022.032
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.cc28n8mv
title: CCDC 2104857: Experimental Crystal Structure Determination

description: Related Article: Lalhruaizela, Brilliant N. Marak, Balkaran S. Sran, Ved Prakash Singh|2021|Chem. Sel.|6|11249|doi:10.1002/slct.202103182
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.cc28n8nw
title: CCDC 2104858: Experimental Crystal Structure Determination

description: Related Article: Lalhruaizela, Brilliant N. Marak, Balkaran S. Sran, Ved Prakash Singh|2021|Chem. Sel.|6|11249|doi:10.1002/slct.202103182
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.cc28n8px
title: CCDC 2104859: Experimental Crystal Structure Determination

description: Related Article: Lalhruaizela, Brilliant N. Marak, Balkaran S. Sran, Ved Prakash Singh|2021|Chem. Sel.|6|11249|doi:10.1002/slct.202103182
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.cc28n8qy
title: CCDC 2104860: Experimental Crystal Structure Determination

description: Related Article: Lalhruaizela, Brilliant N. Marak, Balkaran S. Sran, Ved Prakash Singh|2021|Chem. Sel.|6|11249|doi:10.1002/slct.202103182
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.cc28n8s0
title: CCDC 2104862: Experimental Crystal Structure Determination

description: Related Article: Saad Shaaban, Hela Ferjani, Tarek Yousef, Marwa Abdel-Motaal|2022|J.Inorg.Organomet.Polym.Mater.|32|1878|doi:10.1007/s10904-022-02284-2
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.cc28n8y5
title: CCDC 2104867: Experimental Crystal Structure Determination

description: Related Article: Kai Yang|2021|CSD Communication|||
description: Related Article: Guan Zhang, Zhihan Zhang, Mengyuan Hou, Xinping Cai, Kai Yang, Peiyuan Yu, Qiuling Song|2022|Nat.Commun.|13|2624|doi:10.1038/s41467-022-30287-7
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.cc28nb9l
title: CCDC 2104909: Experimental Crystal Structure Determination

description: Related Article: Swati Deswal, Rishukumar Panday, Dipti R. Naphade, Prashant Dixit, Balu Praveenkumar, Jan K. Zaręba, Thomas D. Anthopoulos, Satishchandra Ogale, Ramamoorthy Boomishankar|2022|Chem.-Eur.J.|28||doi:10.1002/chem.202200751
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.cc28nbbm
title: CCDC 2104910: Experimental Crystal Structure Determination

description: Related Article: Swati Deswal, Rishukumar Panday, Dipti R. Naphade, Prashant Dixit, Balu Praveenkumar, Jan K. Zaręba, Thomas D. Anthopoulos, Satishchandra Ogale, Ramamoorthy Boomishankar|2022|Chem.-Eur.J.|28||doi:10.1002/chem.202200751
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.cc28nbhs
title: CCDC 2104915: Experimental Crystal Structure Determination

description: Related Article:  Jack A. Davies, Tanya K. Ronson, Jonathan R. Nitschke|2022|Chem (Cell Press)|8|1099|doi:10.1016/j.chempr.2022.01.003
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.cc28nbv4
title: CCDC 2104926: Experimental Crystal Structure Determination

description: Related Article: Alexander S. Filatov, Stanislav I. Selivanov, Stanislav V. Shmakov, Anna G. Larina, Vitali M. Boitsov, Alexander V. Stepakov|2022|Synthesis|54|1803|doi:10.1055/a-1700-3115
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.cc28nbjt
title: CCDC 2104916: Experimental Crystal Structure Determination

description: Related Article:  Jack A. Davies, Tanya K. Ronson, Jonathan R. Nitschke|2022|Chem (Cell Press)|8|1099|doi:10.1016/j.chempr.2022.01.003
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.cc28nbkv
title: CCDC 2104917: Experimental Crystal Structure Determination

description: Related Article: I.P.Limarev, G.E.Zelinskii, A.V.Vologzhanina, Ya.V.Zubavichus, Ya.Z.Voloshin|2021|Makrogeterocikly|14|225|doi:10.6060/mhc210843z
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.cc28nby7
title: CCDC 2104929: Experimental Crystal Structure Determination

description: Related Article: Pablo Salcedo-Abraira, Artem A. Babaryk, Eva Montero-Lanzuela, Oscar R. Contreras-Almengor, María Cabrero-Antonino, Erik Svensson Grape, Tom Willhammar, Sergio Navalón, Erik Elkäim, Hermenegildo García, and Patricia Horcajada|2022|Adv.Mater.|33|2106627|doi:10.1002/adma.202106627
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.cc28n4wz
title: CCDC 2104741: Experimental Crystal Structure Determination

description: Related Article: Hang Zhou, Xin-Yu Pang, Xiaoping Wang, Huan Yao, Liu-Pan Yang, Wei Jiang|2021|Angew.Chem.,Int.Ed.|60|25981|doi:10.1002/anie.202112267
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.cc28nf5k
title: CCDC 2104998: Experimental Crystal Structure Determination

description: Related Article: Alexander S. Filatov, Stanislav I. Selivanov, Stanislav V. Shmakov, Anna G. Larina, Vitali M. Boitsov, Alexander V. Stepakov|2022|Synthesis|54|1803|doi:10.1055/a-1700-3115
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.cc28bbyx
title: CCDC 2095319: Experimental Crystal Structure Determination

description: Related Article: Hadi Kargar, Mehdi Fallah-Mehrjardi, Muhammad Ashfaq, Khurram Shahzad Munawar, Muhammad Nawaz Tahir, Reza Behjatmanesh-Ardakani, Hadi Amiri Rudbari, Amir Adabi Ardakani, Samaneh Sedighi-Khavidak|2021|J.Coord.Chem.|74|1|doi:10.1080/00958972.2021.1990271
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.cc28ncmy
title: CCDC 2104950: Experimental Crystal Structure Determination

description: Related Article: Zhou Xiuqiao, Yi Jiling, Chen Guangying, Liu Zhixiang, Hui Yang, Chen Wenhao|2022|Nat.Prod.Res.|37|1|doi:10.1080/14786419.2022.2151009
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.