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μ(3)-Chlorido-μ(2)-chlorido-(μ(3)-pyrrolidine-1-carbodithioato-κ(4) S:S,S′:S′)tris[(triethylphosphane-κP)copper(I)]: crystal structure and Hirshfeld surface analysis
The title trinuclear compound, [Cu(3)(C(5)H(8)NS(2))Cl(2)(C(6)H(15)P)(3)], has the dithiocarbamate ligand symmetrically chelating one Cu(I) atom and each of the S atoms bridging to another Cu(I) atom. Both chloride ligands are bridging, one being μ(3)- and the other μ(2)-bridging. Each Et(3)P liga...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2017
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5418792/ https://www.ncbi.nlm.nih.gov/pubmed/28529784 http://dx.doi.org/10.1107/S2056989017005382 |
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author | Tan, Yi Jiun Yeo, Chien Ing Halcovitch, Nathan R. Jotani, Mukesh M. Tiekink, Edward R. T. |
author_facet | Tan, Yi Jiun Yeo, Chien Ing Halcovitch, Nathan R. Jotani, Mukesh M. Tiekink, Edward R. T. |
author_sort | Tan, Yi Jiun |
collection | PubMed |
description | The title trinuclear compound, [Cu(3)(C(5)H(8)NS(2))Cl(2)(C(6)H(15)P)(3)], has the dithiocarbamate ligand symmetrically chelating one Cu(I) atom and each of the S atoms bridging to another Cu(I) atom. Both chloride ligands are bridging, one being μ(3)- and the other μ(2)-bridging. Each Et(3)P ligand occupies a terminal position. Two of the Cu(I) atoms exist within Cl(2)PS donor sets and the third is based on a ClPS(2) donor set, with each coordination geometry based on a distorted tetrahedron. The constituents defining the core of the molecule, i.e. Cu(3)Cl(2)S(2), occupy seven corners of a distorted cube. In the crystal, linear supramolecular chains along the c axis are formed via phosphane–methylene-C—H⋯Cl and pyrrolidine–methylene-C—H⋯π(chelate) interactions, and these chains pack without directional interactions between them. An analysis of the Hirshfeld surface points to the predominance of H atoms at the surface, i.e. contributing 86.6% to the surface, and also highlights the presence of C—H⋯π(chelate) interactions. |
format | Online Article Text |
id | pubmed-5418792 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-54187922017-05-19 μ(3)-Chlorido-μ(2)-chlorido-(μ(3)-pyrrolidine-1-carbodithioato-κ(4) S:S,S′:S′)tris[(triethylphosphane-κP)copper(I)]: crystal structure and Hirshfeld surface analysis Tan, Yi Jiun Yeo, Chien Ing Halcovitch, Nathan R. Jotani, Mukesh M. Tiekink, Edward R. T. Acta Crystallogr E Crystallogr Commun Research Communications The title trinuclear compound, [Cu(3)(C(5)H(8)NS(2))Cl(2)(C(6)H(15)P)(3)], has the dithiocarbamate ligand symmetrically chelating one Cu(I) atom and each of the S atoms bridging to another Cu(I) atom. Both chloride ligands are bridging, one being μ(3)- and the other μ(2)-bridging. Each Et(3)P ligand occupies a terminal position. Two of the Cu(I) atoms exist within Cl(2)PS donor sets and the third is based on a ClPS(2) donor set, with each coordination geometry based on a distorted tetrahedron. The constituents defining the core of the molecule, i.e. Cu(3)Cl(2)S(2), occupy seven corners of a distorted cube. In the crystal, linear supramolecular chains along the c axis are formed via phosphane–methylene-C—H⋯Cl and pyrrolidine–methylene-C—H⋯π(chelate) interactions, and these chains pack without directional interactions between them. An analysis of the Hirshfeld surface points to the predominance of H atoms at the surface, i.e. contributing 86.6% to the surface, and also highlights the presence of C—H⋯π(chelate) interactions. International Union of Crystallography 2017-04-18 /pmc/articles/PMC5418792/ /pubmed/28529784 http://dx.doi.org/10.1107/S2056989017005382 Text en © Tan et al. 2017 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/ |
spellingShingle | Research Communications Tan, Yi Jiun Yeo, Chien Ing Halcovitch, Nathan R. Jotani, Mukesh M. Tiekink, Edward R. T. μ(3)-Chlorido-μ(2)-chlorido-(μ(3)-pyrrolidine-1-carbodithioato-κ(4) S:S,S′:S′)tris[(triethylphosphane-κP)copper(I)]: crystal structure and Hirshfeld surface analysis |
title | μ(3)-Chlorido-μ(2)-chlorido-(μ(3)-pyrrolidine-1-carbodithioato-κ(4)
S:S,S′:S′)tris[(triethylphosphane-κP)copper(I)]: crystal structure and Hirshfeld surface analysis |
title_full | μ(3)-Chlorido-μ(2)-chlorido-(μ(3)-pyrrolidine-1-carbodithioato-κ(4)
S:S,S′:S′)tris[(triethylphosphane-κP)copper(I)]: crystal structure and Hirshfeld surface analysis |
title_fullStr | μ(3)-Chlorido-μ(2)-chlorido-(μ(3)-pyrrolidine-1-carbodithioato-κ(4)
S:S,S′:S′)tris[(triethylphosphane-κP)copper(I)]: crystal structure and Hirshfeld surface analysis |
title_full_unstemmed | μ(3)-Chlorido-μ(2)-chlorido-(μ(3)-pyrrolidine-1-carbodithioato-κ(4)
S:S,S′:S′)tris[(triethylphosphane-κP)copper(I)]: crystal structure and Hirshfeld surface analysis |
title_short | μ(3)-Chlorido-μ(2)-chlorido-(μ(3)-pyrrolidine-1-carbodithioato-κ(4)
S:S,S′:S′)tris[(triethylphosphane-κP)copper(I)]: crystal structure and Hirshfeld surface analysis |
title_sort | μ(3)-chlorido-μ(2)-chlorido-(μ(3)-pyrrolidine-1-carbodithioato-κ(4)
s:s,s′:s′)tris[(triethylphosphane-κp)copper(i)]: crystal structure and hirshfeld surface analysis |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5418792/ https://www.ncbi.nlm.nih.gov/pubmed/28529784 http://dx.doi.org/10.1107/S2056989017005382 |
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