cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc1njv9b
title: CCDC 1535532: Experimental Crystal Structure Determination

description: Related Article: Xun Yang, Dinesh Nath, Michael R. Gau, Omar W. Steward and Fraser F. Fleming|2017|Angew.Chem.,Int.Ed.|56|7257|doi:10.1002/anie.201704028
description: Related Article: Qing Han, Jian-Cai Liu, Yue Wen, Li-Juan Chen, Jun-Wei Zhao, Guo-Yu Yang|2017|Inorg.Chem.|56|7257|doi:10.1021/acs.inorgchem.7b00924
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.cc1njv67
title: CCDC 1535529: Experimental Crystal Structure Determination

description: Related Article: Xun Yang, Dinesh Nath, Michael R. Gau, Omar W. Steward and Fraser F. Fleming|2017|Angew.Chem.,Int.Ed.|56|7257|doi:10.1002/anie.201704028
description: Related Article: Qing Han, Jian-Cai Liu, Yue Wen, Li-Juan Chen, Jun-Wei Zhao, Guo-Yu Yang|2017|Inorg.Chem.|56|7257|doi:10.1021/acs.inorgchem.7b00924
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.cc1nnbf2
title: CCDC 1538884: Experimental Crystal Structure Determination

description: Related Article: Rahul Shukla, Imtiaz Khan, Aliya Ibrar, Jim Simpson, Deepak Chopra|2017|CrystEngComm|19|3485|doi:10.1039/C7CE00678K
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: 10.15468/dl.s694ah
title: Occurrence Download

description: A dataset containing 7 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((-88.5917 16.38788,-88.51884 16.38882,-88.51738 16.47209,-88.58934 16.47188,-88.5917 16.38788))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "IucnRedListCategory is one of (EN, VU)"
 ]
}

 The dataset includes 7 records from 4 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0054848-251009101135966/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5517/ccdc.csd.cc1nnbg3
title: CCDC 1538885: Experimental Crystal Structure Determination

description: Related Article: Rahul Shukla, Imtiaz Khan, Aliya Ibrar, Jim Simpson, Deepak Chopra|2017|CrystEngComm|19|3485|doi:10.1039/C7CE00678K
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.cc1nnbh4
title: CCDC 1538886: Experimental Crystal Structure Determination

description: Related Article: Rahul Shukla, Imtiaz Khan, Aliya Ibrar, Jim Simpson, Deepak Chopra|2017|CrystEngComm|19|3485|doi:10.1039/C7CE00678K
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.cc1nnbj5
title: CCDC 1538887: Experimental Crystal Structure Determination

description: Related Article: Rahul Shukla, Imtiaz Khan, Aliya Ibrar, Jim Simpson, Deepak Chopra|2017|CrystEngComm|19|3485|doi:10.1039/C7CE00678K
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.cc1nnbpb
title: CCDC 1538892: Experimental Crystal Structure Determination

description: Related Article: J.L. Wardell, M.M. Jotani, E.R.T. Tiekink|2017|Acta Crystallogr.,Sect.E:Cryst.Commun.|73|579|doi:10.1107/S2056989017004352
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.cc1nnbk6
title: CCDC 1538888: Experimental Crystal Structure Determination

description: Related Article: Junwei Ye, Xueming Huang, Yiwen Li, Ting Zheng, Guiling Ning, Jie Liang, Yu Liu, Yue Wang|2017|Dyes Pigm.|147|465|doi:10.1016/j.dyepig.2017.08.035
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.cc1nnbl7
title: CCDC 1538889: Experimental Crystal Structure Determination

description: Related Article: Junwei Ye, Xueming Huang, Yiwen Li, Ting Zheng, Guiling Ning, Jie Liang, Yu Liu, Yue Wang|2017|Dyes Pigm.|147|465|doi:10.1016/j.dyepig.2017.08.035
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.17084047
title: Measurement of atomic scattering factors by cryo-electron microscopy: model parameters and simulated test data

description: simulated_dataset.zip contains maps simulated using tabulated scattering factors. The MRC files with infixes _1 and _2 are simulated halfmaps, only halfmap 1 was used for estimation.

The JSON files contain scattering factors parametrized as a sum of five Gaussians for catalase (params_cat.json) and EMDB (params_emdb.json) datasets.



coefficients are the coefficients of the sum of Gaussians (a is the multiplicative factor and b is the exponent)

function contains tabulated values of the function (value is the function value and frequency is the frequency in inverse angstroms)

count is the number of occurrences of the atom type in the training set

description is a base64-encoded array of type uint8 containing a machine-readable description of the environment
DOI: 10.5517/ccdc.csd.cc1nnbm8
title: CCDC 1538890: Experimental Crystal Structure Determination

description: Related Article: Junwei Ye, Xueming Huang, Yiwen Li, Ting Zheng, Guiling Ning, Jie Liang, Yu Liu, Yue Wang|2017|Dyes Pigm.|147|465|doi:10.1016/j.dyepig.2017.08.035
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.cc1nnbn9
title: CCDC 1538891: Experimental Crystal Structure Determination

description: Related Article: Junwei Ye, Xueming Huang, Yiwen Li, Ting Zheng, Guiling Ning, Jie Liang, Yu Liu, Yue Wang|2017|Dyes Pigm.|147|465|doi:10.1016/j.dyepig.2017.08.035
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.17084046
title: Measurement of atomic scattering factors by cryo-electron microscopy: model parameters and simulated test data

description: simulated_dataset.zip contains maps simulated using tabulated scattering factors. The MRC files with infixes _1 and _2 are simulated halfmaps, only halfmap 1 was used for estimation.

The JSON files contain scattering factors parametrized as a sum of five Gaussians for catalase (params_cat.json) and EMDB (params_emdb.json) datasets.



coefficients are the coefficients of the sum of Gaussians (a is the multiplicative factor and b is the exponent)

function contains tabulated values of the function (value is the function value and frequency is the frequency in inverse angstroms)

count is the number of occurrences of the atom type in the training set

description is a base64-encoded array of type uint8 containing a machine-readable description of the environment
DOI: 10.5517/ccdc.csd.cc1nnbsf
title: CCDC 1538895: Experimental Crystal Structure Determination

description: Related Article: Douglas W. Agnew, Curtis E. Moore, Arnold L. Rheingold, Joshua S. Figueroa|2017|Dalton Trans.|46|6700|doi:10.1039/C7DT01102D
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.cc1nnbtg
title: CCDC 1538896: Experimental Crystal Structure Determination

description: Related Article: Douglas W. Agnew, Curtis E. Moore, Arnold L. Rheingold, Joshua S. Figueroa|2017|Dalton Trans.|46|6700|doi:10.1039/C7DT01102D
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.cc1nnbvh
title: CCDC 1538897: Experimental Crystal Structure Determination

description: Related Article: Douglas W. Agnew, Curtis E. Moore, Arnold L. Rheingold, Joshua S. Figueroa|2017|Dalton Trans.|46|6700|doi:10.1039/C7DT01102D
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.cc12g7j9
title: CCDC 996790: Experimental Crystal Structure Determination

description: Related Article: Jun Luo, Wan-Sha Huang, Sheng-Mou Hu, Pan-Pan Zhang, Xu-Wei Zhou, Xiao-Bing Wang, Ming-Hua Yang, Jian-Guang Luo, Chen Wang, Chang Liu, He-Quan Yao, Can Zhang, Hong-Bin Sun, Yi-Jun Chen, Ling-Yi Kong|2017|Org.Chem.Front.|4|2417|doi:10.1039/C7QO00678K
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.cc1nnbwj
title: CCDC 1538898: Experimental Crystal Structure Determination

description: Related Article: Douglas W. Agnew, Curtis E. Moore, Arnold L. Rheingold, Joshua S. Figueroa|2017|Dalton Trans.|46|6700|doi:10.1039/C7DT01102D
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.cc1y4f4n
title: CSD 1791711: Experimental Crystal Structure Determination

description: Related Article: F.F. Ma, J.W. Mao, G.Q. Shao, S.H. Fan, C. Zhu, A.L. Zhang, G.Z. Xie, J.N. Gu, J.L. Yan|2018|Powder Diffr.|33|38|doi:10.1017/S0885715618000040
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.cc1nnbxk
title: CCDC 1538899: Experimental Crystal Structure Determination

description: Related Article: Yuan Luo, Ke-Xin Xie, Deng-Feng Yue, Xiao-Mei Zhang, Xiao-Ying Xu, Wei-Cheng Yuan|2018|Org.Biomol.Chem.|16|3372|doi:10.1039/C8OB00707A
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.cc1n8ysn
title: CCDC 1527952: Experimental Crystal Structure Determination

description: Related Article: Siyi Bai, Xun Chen, Xinwei Hu, Yuanfu Deng, Huanfeng Jiang, Wei Zeng|2017|Org.Biomol.Chem.|15|3638|doi:10.1039/C7OB00367F
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.cc1nnbzm
title: CCDC 1538901: Experimental Crystal Structure Determination

description: Related Article: Riccardo Suter, Hannah Sinclair, Neil Burford, Robert McDonald, Michael J. Ferguson, Erik Schrader|2017|Dalton Trans.|46|7681|doi:10.1039/C7DT01526G
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.cc1nnc0p
title: CCDC 1538902: Experimental Crystal Structure Determination

description: Related Article: Riccardo Suter, Hannah Sinclair, Neil Burford, Robert McDonald, Michael J. Ferguson, Erik Schrader|2017|Dalton Trans.|46|7681|doi:10.1039/C7DT01526G
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.cc1nnc2r
title: CCDC 1538904: Experimental Crystal Structure Determination

description: Related Article: Valentina S. Nikonova, Ekaterina P. Levanova, Nikolai A. Korchevin, Igor A. Ushakov, Alexander V. Vashchenko, Igor B. Rozentsveig|2018|J.Mol.Struct.|1153|28|doi:10.1016/j.molstruc.2017.09.121
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.cc1nnc3s
title: CCDC 1538905: Experimental Crystal Structure Determination

description: Related Article: Valentina S. Nikonova, Ekaterina P. Levanova, Nikolai A. Korchevin, Igor A. Ushakov, Alexander V. Vashchenko, Igor B. Rozentsveig|2018|J.Mol.Struct.|1153|28|doi:10.1016/j.molstruc.2017.09.121
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.cc1nnc4t
title: CCDC 1538906: Experimental Crystal Structure Determination

description: Related Article: Chengye Zhang, Liubing Song, Hongfei Wu, Xiaoyu Ji, Jiajun Jiao, Jun Zhang|2017|Dalton Trans.|46|8399|doi:10.1039/C7DT01060E
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.cc1nnc5v
title: CCDC 1538907: Experimental Crystal Structure Determination

description: Related Article: Chengye Zhang, Liubing Song, Hongfei Wu, Xiaoyu Ji, Jiajun Jiao, Jun Zhang|2017|Dalton Trans.|46|8399|doi:10.1039/C7DT01060E
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.cc1nnc7x
title: CCDC 1538909: Experimental Crystal Structure Determination

description: Related Article: Runyu Mao, Zheng Yuan, Yuewen Li and Jie Wu|2017|Chem.-Eur.J.|23|8176|doi:10.1002/chem.201702040
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.cc1nnc8y
title: CCDC 1538910: Experimental Crystal Structure Determination

description: Related Article: Runyu Mao, Zheng Yuan, Yuewen Li and Jie Wu|2017|Chem.-Eur.J.|23|8176|doi:10.1002/chem.201702040
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.cc1nnc9z
title: CCDC 1538911: Experimental Crystal Structure Determination

description: Related Article: X.P.Zhang, D.S.Zhang, W.Sun, Z.F.Shi|2018|Koord.Khim.|44|15|doi:10.1134/S1070328418010098
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.cc1nncb0
title: CCDC 1538912: Experimental Crystal Structure Determination

description: Related Article: Wenquan Zhang, Honglei Xia, Rujing Yu, Jiaheng Zhang, Kangcai Wang, Qinghua Zhang|2020|Propellants,Explos.,Pyrotech.|45|546|doi:10.1002/prep.201900205
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.cc1nncc1
title: CCDC 1538913: Experimental Crystal Structure Determination

description: Related Article: Wenquan Zhang, Honglei Xia, Rujing Yu, Jiaheng Zhang, Kangcai Wang, Qinghua Zhang|2020|Propellants,Explos.,Pyrotech.|45|546|doi:10.1002/prep.201900205
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: 10.15468/dl.swavbm
title: Occurrence Download

description: A dataset containing 1060 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Continent is Asia",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Nyssa sinensis"
 ]
}

 The dataset includes 1060 records from 20 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0054849-251009101135966/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5517/ccdc.csd.cc1nncd2
title: CCDC 1538914: Experimental Crystal Structure Determination

description: Related Article: Wenquan Zhang, Honglei Xia, Rujing Yu, Jiaheng Zhang, Kangcai Wang, Qinghua Zhang|2020|Propellants,Explos.,Pyrotech.|45|546|doi:10.1002/prep.201900205
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.cc1nncj6
title: CCDC 1538918: Experimental Crystal Structure Determination

description: Related Article: N. Salamzadeh, Z. Demircioglu, U. Korkmaz, O. Büyükgüngör|2017|Acta Crystallogr.,Sect.E:Cryst.Commun.|73|586|doi:10.1107/S2056989017004376
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.