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  • Acta Cryst. (2017). E73 720

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μ3-Chlorido-μ2-chlorido-(μ3-pyrrolidine-1-carbo-dithio-ato-κ(4)S:S,S':S')tris-[(tri-ethyl-phosphane-κP)copper(I)]: crystal structure and Hirshfeld surface analysis

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μ3-Chlorido-μ2-chlorido-(μ3-pyrrolidine-1-carbo-dithio-ato-κ(4)S:S,S':S')tris-[(tri-ethyl-phosphane-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.

In: Acta crystallographica. Section E, Crystallographic communications, Vol. 73, No. Pt 5, 01.05.2017, p. 720-725.

Research output: Contribution to journalJournal articlepeer-review

Harvard

Tan, YJ, Yeo, CI, Halcovitch, NR, Jotani, MM & Tiekink, ERT 2017, 'μ3-Chlorido-μ2-chlorido-(μ3-pyrrolidine-1-carbo-dithio-ato-κ(4)S:S,S':S')tris-[(tri-ethyl-phosphane-κP)copper(I)]: crystal structure and Hirshfeld surface analysis', Acta crystallographica. Section E, Crystallographic communications, vol. 73, no. Pt 5, pp. 720-725. https://doi.org/10.1107/S2056989017005382

APA

Tan, Y. J., Yeo, C. I., Halcovitch, N. R., Jotani, M. M., & Tiekink, E. R. T. (2017). μ3-Chlorido-μ2-chlorido-(μ3-pyrrolidine-1-carbo-dithio-ato-κ(4)S:S,S':S')tris-[(tri-ethyl-phosphane-κP)copper(I)]: crystal structure and Hirshfeld surface analysis. Acta crystallographica. Section E, Crystallographic communications, 73(Pt 5), 720-725. https://doi.org/10.1107/S2056989017005382

Vancouver

Author

Tan, Yi Jiun ; Yeo, Chien Ing ; Halcovitch, Nathan R. ; Jotani, Mukesh M. ; Tiekink, Edward R. T. / μ3-Chlorido-μ2-chlorido-(μ3-pyrrolidine-1-carbo-dithio-ato-κ(4)S:S,S':S')tris-[(tri-ethyl-phosphane-κP)copper(I)] : crystal structure and Hirshfeld surface analysis. In: Acta crystallographica. Section E, Crystallographic communications. 2017 ; Vol. 73, No. Pt 5. pp. 720-725.

Bibtex

@article{7fb4bddb2a05485781c433547ee2969e,
title = "μ3-Chlorido-μ2-chlorido-(μ3-pyrrolidine-1-carbo-dithio-ato-κ(4)S:S,S':S')tris-[(tri-ethyl-phosphane-κP)copper(I)]: crystal structure and Hirshfeld surface analysis",
abstract = "The title trinuclear compound, [Cu3(C5H8NS2)Cl2(C6H15P)3], has the di-thio-carbamate 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 μ3- and the other μ2-bridging. Each Et3P ligand occupies a terminal position. Two of the Cu(I) atoms exist within Cl2PS donor sets and the third is based on a ClPS2 donor set, with each coordination geometry based on a distorted tetra-hedron. The constituents defining the core of the mol-ecule, i.e. Cu3Cl2S2, occupy seven corners of a distorted cube. In the crystal, linear supra-molecular chains along the c axis are formed via phosphane-methyl-ene-C-H⋯Cl and pyrrolidine-methyl-ene-C-H⋯π(chelate) inter-actions, and these chains pack without directional inter-actions 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) inter-actions.",
keywords = "crystal structure, copper(I), dithiocarbamate, Hirshfeld surface analysis.",
author = "Tan, {Yi Jiun} and Yeo, {Chien Ing} and Halcovitch, {Nathan R.} and Jotani, {Mukesh M.} and Tiekink, {Edward R. T.}",
year = "2017",
month = may,
day = "1",
doi = "10.1107/S2056989017005382",
language = "English",
volume = "73",
pages = "720--725",
journal = "Acta Crystallographica Section E: Crystallographic Communications",
issn = "2056-9890",
publisher = "International Union of Crystallography",
number = "Pt 5",

}

RIS

TY - JOUR

T1 - μ3-Chlorido-μ2-chlorido-(μ3-pyrrolidine-1-carbo-dithio-ato-κ(4)S:S,S':S')tris-[(tri-ethyl-phosphane-κP)copper(I)]

T2 - crystal structure and Hirshfeld surface analysis

AU - Tan, Yi Jiun

AU - Yeo, Chien Ing

AU - Halcovitch, Nathan R.

AU - Jotani, Mukesh M.

AU - Tiekink, Edward R. T.

PY - 2017/5/1

Y1 - 2017/5/1

N2 - The title trinuclear compound, [Cu3(C5H8NS2)Cl2(C6H15P)3], has the di-thio-carbamate 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 μ3- and the other μ2-bridging. Each Et3P ligand occupies a terminal position. Two of the Cu(I) atoms exist within Cl2PS donor sets and the third is based on a ClPS2 donor set, with each coordination geometry based on a distorted tetra-hedron. The constituents defining the core of the mol-ecule, i.e. Cu3Cl2S2, occupy seven corners of a distorted cube. In the crystal, linear supra-molecular chains along the c axis are formed via phosphane-methyl-ene-C-H⋯Cl and pyrrolidine-methyl-ene-C-H⋯π(chelate) inter-actions, and these chains pack without directional inter-actions 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) inter-actions.

AB - The title trinuclear compound, [Cu3(C5H8NS2)Cl2(C6H15P)3], has the di-thio-carbamate 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 μ3- and the other μ2-bridging. Each Et3P ligand occupies a terminal position. Two of the Cu(I) atoms exist within Cl2PS donor sets and the third is based on a ClPS2 donor set, with each coordination geometry based on a distorted tetra-hedron. The constituents defining the core of the mol-ecule, i.e. Cu3Cl2S2, occupy seven corners of a distorted cube. In the crystal, linear supra-molecular chains along the c axis are formed via phosphane-methyl-ene-C-H⋯Cl and pyrrolidine-methyl-ene-C-H⋯π(chelate) inter-actions, and these chains pack without directional inter-actions 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) inter-actions.

KW - crystal structure

KW - copper(I)

KW - dithiocarbamate

KW - Hirshfeld surface analysis.

U2 - 10.1107/S2056989017005382

DO - 10.1107/S2056989017005382

M3 - Journal article

C2 - 28529784

VL - 73

SP - 720

EP - 725

JO - Acta Crystallographica Section E: Crystallographic Communications

JF - Acta Crystallographica Section E: Crystallographic Communications

SN - 2056-9890

IS - Pt 5

ER -