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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...

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Autores principales: Tan, Yi Jiun, Yeo, Chien Ing, Halcovitch, Nathan R., Jotani, Mukesh M., Tiekink, Edward R. T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
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.
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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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