cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/cc11z36b
title: CCDC 982241: Experimental Crystal Structure Determination

description: Related Article: Subham Bhattacharjee,  Bappa Maiti,   Santanu Bhattacharya|2016|Nanoscale|8|11224|doi:10.1039/C6NR01128D
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/cc11z348
title: CCDC 982239: Experimental Crystal Structure Determination

description: Related Article: Zece Zhu, Li Xu, Chuluo Yang|2015|Sens.Actuators,B|221|443|doi:10.1016/j.snb.2015.06.134
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/cc11z359
title: CCDC 982240: Experimental Crystal Structure Determination

description: Related Article: Zece Zhu, Li Xu, Chuluo Yang|2015|Sens.Actuators,B|221|443|doi:10.1016/j.snb.2015.06.134
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/cc11z3ch
title: CCDC 982246: Experimental Crystal Structure Determination

description: Related Article: Hamada Mohamed Ibrahim and Haider Behbehani|2014|Molecules|19|2637|doi:10.3390/molecules19022637
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/cc11z38d
title: CCDC 982243: Experimental Crystal Structure Determination

description: Related Article: Min Chen, Zhuo-Wei Wang, Hui Zhao, Chun-Sen Liu|2015|Aust.J.Chem.|68|113|doi:10.1071/CH14115
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/cc11z3dj
title: CCDC 982247: Experimental Crystal Structure Determination

description: Related Article: Hamada Mohamed Ibrahim and Haider Behbehani|2014|Molecules|19|2637|doi:10.3390/molecules19022637
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/cc11z39f
title: CCDC 982244: Experimental Crystal Structure Determination

description: Related Article: Min Chen, Zhuo-Wei Wang, Hui Zhao, Chun-Sen Liu|2015|Aust.J.Chem.|68|113|doi:10.1071/CH14115
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/cc11z3bg
title: CCDC 982245: Experimental Crystal Structure Determination

description: Related Article: Min Chen, Zhuo-Wei Wang, Hui Zhao, Chun-Sen Liu|2015|Aust.J.Chem.|68|113|doi:10.1071/CH14115
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/cc11z3fk
title: CCDC 982248: Experimental Crystal Structure Determination

description: Related Article: R. Gangadharan, S.E. Kiruthika, K. Sethusankar, P.T. Perumal|2014|Acta Crystallogr.,Sect.E:Struct.Rep.Online|70|o210|doi:10.1107/S1600536814001329
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/cc11ttzn
title: CCDC 978142: Experimental Crystal Structure Determination

description: Related Article: S. Sreenivasa, M.S. Nanjundaswamy, S. Madankumar, N.K. Lokanath, E. Suresha, P.A. Suchetan|2014|Acta Crystallogr.,Sect.E:Struct.Rep.Online|70|o192|doi:10.1107/S1600536814001330
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/cczwcjq
title: CCDC 920034: Experimental Crystal Structure Determination

description: Related Article: Oualid Talhi, Michael Schnekenburger, Jana Panning, Diana G.C. Pinto, José A. Fernandes, Filipe A. Almeida Paz, Claus Jacob, Marc Diederich, Artur M.S. Silva|2014|Bioorg.Med.Chem.|22|3008|doi:10.1016/j.bmc.2014.03.046
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/cc11z3gl
title: CCDC 982249: Experimental Crystal Structure Determination

description: Related Article: Justin Nenwa, Edith D. Djomo, Emmanuel N. Nfor, Patrick L. Djonwouo, Mohammed Mbarki, Boniface P.T. Fokwa|2015|Polyhedron|99|26|doi:10.1016/j.poly.2015.06.023
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/cc11z3hm
title: CCDC 982250: Experimental Crystal Structure Determination

description: Related Article: Justin Nenwa, Edith D. Djomo, Emmanuel N. Nfor, Patrick L. Djonwouo, Mohammed Mbarki, Boniface P.T. Fokwa|2015|Polyhedron|99|26|doi:10.1016/j.poly.2015.06.023
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/cc105fyk
title: CCDC 928758: Experimental Crystal Structure Determination

description: Related Article: G. A. Craig, M. Schutze, D. Aguila, O. Roubeau, J. Ribas-Arino, S. Vela, S. J. Teat, G. Aromi|2014|Inorg.Chem.|53|3290|doi:10.1021/ic402647t
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/cc11z3jn
title: CCDC 982251: Experimental Crystal Structure Determination

description: Related Article: Zhengkai Chen, Qiangqiang Yan, Hong Yi, Zhanxiang Liu, Aiwen Lei, Yuhong Zhang|2014|Chem.-Eur.J.|20|13692|doi:10.1002/chem.201403515
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/cc105fzl
title: CCDC 928759: Experimental Crystal Structure Determination

description: Related Article: G. A. Craig, M. Schutze, D. Aguila, O. Roubeau, J. Ribas-Arino, S. Vela, S. J. Teat, G. Aromi|2014|Inorg.Chem.|53|3290|doi:10.1021/ic402647t
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/cc105g0n
title: CCDC 928760: Experimental Crystal Structure Determination

description: Related Article: G. A. Craig, M. Schutze, D. Aguila, O. Roubeau, J. Ribas-Arino, S. Vela, S. J. Teat, G. Aromi|2014|Inorg.Chem.|53|3290|doi:10.1021/ic402647t
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/cc10drz4
title: CCDC 935796: Experimental Crystal Structure Determination

description: Related Article: G. A. Craig, M. Schutze, D. Aguila, O. Roubeau, J. Ribas-Arino, S. Vela, S. J. Teat, G. Aromi|2014|Inorg.Chem.|53|3290|doi:10.1021/ic402647t
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/cc11z3kp
title: CCDC 982252: Experimental Crystal Structure Determination

description: Related Article: Marta A. Fik, Adam Gorczyński, Maciej Kubicki, Zbigniew Hnatejko, Anna Wadas, Paweł J. Kulesza, Agnieszka Lewińska, Małgorzata Giel-Pietraszuk, Eliza Wyszko, Violetta Patroniak|2015|Polyhedron|97|83|doi:10.1016/j.poly.2015.05.021
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/cc11z3lq
title: CCDC 982253: Experimental Crystal Structure Determination

description: Related Article: Marta A. Fik, Adam Gorczyński, Maciej Kubicki, Zbigniew Hnatejko, Anna Wadas, Paweł J. Kulesza, Agnieszka Lewińska, Małgorzata Giel-Pietraszuk, Eliza Wyszko, Violetta Patroniak|2015|Polyhedron|97|83|doi:10.1016/j.poly.2015.05.021
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/cc11z3mr
title: CCDC 982254: Experimental Crystal Structure Determination

description: Related Article: Marta A. Fik, Adam Gorczyński, Maciej Kubicki, Zbigniew Hnatejko, Anna Wadas, Paweł J. Kulesza, Agnieszka Lewińska, Małgorzata Giel-Pietraszuk, Eliza Wyszko, Violetta Patroniak|2015|Polyhedron|97|83|doi:10.1016/j.poly.2015.05.021
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/ccx70fk
title: CCDC 840888: Experimental Crystal Structure Determination

description: Related Article: Dalin Shao, Menglu Shi, Qun Zhao, Jinghan Wen, Zhirong Geng, Zhilin Wang|2015|Z.Anorg.Allg.Chem.|641|454|doi:10.1002/zaac.201400410
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/cc11tns9
title: CCDC 977981: Experimental Crystal Structure Determination

description: Related Article: Martina Gobec, Jakob Kljun, Izidor Sosič, Irena Mlinarič-Raščan, Matija Uršič, Stanislav Gobec, Iztok Turel|2014|Dalton Trans.|43|9045|doi:10.1039/C4DT00463A
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/ccx70gl
title: CCDC 840889: Experimental Crystal Structure Determination

description: Related Article: Dalin Shao, Menglu Shi, Qun Zhao, Jinghan Wen, Zhirong Geng, Zhilin Wang|2015|Z.Anorg.Allg.Chem.|641|454|doi:10.1002/zaac.201400410
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/cc11z405
title: CCDC 982266: Experimental Crystal Structure Determination

description: Related Article: Yoshikazu Horino, Yu Takahashi, Kaori Koketsu, Hitoshi Abe, and Kiyoshi Tsuge|2014|Org.Lett.|16|3184|doi:10.1021/ol501643x
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/cc11z77h
title: CCDC 982366: Experimental Crystal Structure Determination

description: Related Article: Kyosuke Nakajima and Akiko Hori|2014|Cryst.Growth Des.|14|3169|doi:10.1021/cg500222y
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/cc11nr8q
title: CCDC 973253: Experimental Crystal Structure Determination

description: Related Article: Qin Zeng, Li Zhang, Jieru Yang, Bing Xu, Yuanjing Xiao, Junliang Zhang|2014|Chem.Commun.|50|4203|doi:10.1039/C4CC00493K
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: 10.5281/zenodo.17413836
title: interior_lookup_tables/1TPa-dK09-elec-free/MgSiO3_Wolf_Bower_2018_1TPa

description: The material properties shown here are computed using the RTpress EOS developed by Wolf and Bower (2018). This high P–T EOS applies a generalized Rosenfeld–Tarazona model as a thermal perturbation to isothermal and adiabatic reference compression curves, resulting in a thermodynamically consistent formulation. RTpress remains accurate over a wide P-T range and depends on a limited number of physical parameters, which are calibrated from experimental or simulation data. In this case, we use their parameterization for MgSiO₃ melt, representing a rocky mantle composition up to 1TPa. The material properties of MgSiO₃ solid are determined by Mosenfelder et al. (2009). All the tables contained in this record are in a regular grid. P[0,1TPa] and T[0,16500K]
DOI: 10.5517/cc11z3rw
title: CCDC 982258: Experimental Crystal Structure Determination

description: Related Article: Qin Zeng, Li Zhang, Jieru Yang, Bing Xu, Yuanjing Xiao, Junliang Zhang|2014|Chem.Commun.|50|4203|doi:10.1039/C4CC00493K
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/cc11z3sx
title: CCDC 982259: Experimental Crystal Structure Determination

description: Related Article: Shagufta Parveen, Saghir Hussain, Shaojuan Zhu, Xiangyu Qin, Xin Hao, Shuzhen Zhang, Jianglu Lu, Changjin Zhu|2014|RSC Advances|4|21134|doi:10.1039/C4RA01016G
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/cc11z3ty
title: CCDC 982260: Experimental Crystal Structure Determination

description: Related Article: Shagufta Parveen, Saghir Hussain, Shaojuan Zhu, Xiangyu Qin, Xin Hao, Shuzhen Zhang, Jianglu Lu, Changjin Zhu|2014|RSC Advances|4|21134|doi:10.1039/C4RA01016G
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.cc11z3vz
title: CCDC 982261: Experimental Crystal Structure Determination

description: Related Article: Andreu Ruiz de la Oliva, Victor Sans, Haralampos N. Miras, De-Liang Long, and Leroy Cronin|2017|Inorg.Chem.|56|5089|doi:10.1021/acs.inorgchem.7b00206
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.cc11z416
title: CCDC 982267: Experimental Crystal Structure Determination

description: Related Article: Li-Zhuang Chen, Qi-Jian Pan, Deng-Deng Huang, Xing-Xing Cao|2015|J.Coord.Chem.|68|1664|doi:10.1080/00958972.2015.1028926
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/cc11z438
title: CCDC 982269: Experimental Crystal Structure Determination

description: Related Article: Li-Zhuang Chen, Xing-Xing Cao, Yuan-Yuan Dan|2015|J.Chem.Res.|39|14|doi:10.3184/174751915X14183173493268
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.cc11z427
title: CCDC 982268: Experimental Crystal Structure Determination

description: Related Article: Li-Zhuang Chen, Qi-Jian Pan, Deng-Deng Huang, Xing-Xing Cao|2015|J.Coord.Chem.|68|1664|doi:10.1080/00958972.2015.1028926
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/cc11z47d
title: CCDC 982273: Experimental Crystal Structure Determination

description: Related Article: Makoto Tadokoro, Yuki Ohhata, Yuriko Shimazaki, Shin'ichi Ishimaru, Teppei Yamada, Yuki Nagao, Tomoaki Sugaya, Kyosuke Isoda, Yuta Suzuki, Hiroshi Kitagawa, Hiroshi Matsui|2014|Chem.-Eur.J.|20|13698|doi:10.1002/chem.201402900
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/cc11z48f
title: CCDC 982274: Experimental Crystal Structure Determination

description: Related Article: Makoto Tadokoro, Yuki Ohhata, Yuriko Shimazaki, Shin'ichi Ishimaru, Teppei Yamada, Yuki Nagao, Tomoaki Sugaya, Kyosuke Isoda, Yuta Suzuki, Hiroshi Kitagawa, Hiroshi Matsui|2014|Chem.-Eur.J.|20|13698|doi:10.1002/chem.201402900
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.