μ3-Chlorido-μ2-chlorido-(μ3-pyrrolidine-1-carbodithioato-κ4S:S,S′:S′)tris[(triethylphosphane-κP)copper(I)]: crystal structure and Hirshfeld surface analysis
The title trinuclear compound, [Cu3(C5H8NS2)Cl2(C6H15P)3], has the dithiocarbamate ligand symmetrically chelating one CuI atom and each of the S atoms bridging to another CuI atom. Both chloride ligands are bridging, one being μ3- and the other μ2-bridging. Each Et3P ligand occupies a terminal posit...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2017-05-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989017005382 |
| _version_ | 1819291074112258048 |
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| author | Yi Jiun Tan Chien Ing Yeo Nathan R. Halcovitch Mukesh M. Jotani Edward R. T. Tiekink |
| author_facet | Yi Jiun Tan Chien Ing Yeo Nathan R. Halcovitch Mukesh M. Jotani Edward R. T. Tiekink |
| author_sort | Yi Jiun Tan |
| collection | DOAJ |
| description | The title trinuclear compound, [Cu3(C5H8NS2)Cl2(C6H15P)3], has the dithiocarbamate ligand symmetrically chelating one CuI atom and each of the S atoms bridging to another CuI atom. Both chloride ligands are bridging, one being μ3- and the other μ2-bridging. Each Et3P ligand occupies a terminal position. Two of the CuI atoms exist within Cl2PS donor sets and the third is based on a ClPS2 donor set, with each coordination geometry based on a distorted tetrahedron. The constituents defining the core of the molecule, i.e. Cu3Cl2S2, 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. |
| first_indexed | 2024-12-24T03:32:51Z |
| format | Article |
| id | doaj.art-d330e58e65e84be9b777a74f969a8581 |
| institution | Directory Open Access Journal |
| issn | 2056-9890 |
| language | English |
| last_indexed | 2024-12-24T03:32:51Z |
| publishDate | 2017-05-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj.art-d330e58e65e84be9b777a74f969a85812022-12-21T17:17:09ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902017-05-0173572072510.1107/S2056989017005382hb7670μ3-Chlorido-μ2-chlorido-(μ3-pyrrolidine-1-carbodithioato-κ4S:S,S′:S′)tris[(triethylphosphane-κP)copper(I)]: crystal structure and Hirshfeld surface analysisYi Jiun Tan0Chien Ing Yeo1Nathan R. Halcovitch2Mukesh M. Jotani3Edward R. T. Tiekink4Research Centre for Crystalline Materials, School of Science and Technology, Sunway University, 47500 Bandar Sunway, Selangor Darul Ehsan, MalaysiaResearch Centre for Crystalline Materials, School of Science and Technology, Sunway University, 47500 Bandar Sunway, Selangor Darul Ehsan, MalaysiaDepartment of Chemistry, Lancaster University, Lancaster LA1 4YB, United KingdomDepartment of Physics, Bhavan's Sheth R. A. College of Science, Ahmedabad, Gujarat 380001, IndiaResearch Centre for Crystalline Materials, School of Science and Technology, Sunway University, 47500 Bandar Sunway, Selangor Darul Ehsan, MalaysiaThe title trinuclear compound, [Cu3(C5H8NS2)Cl2(C6H15P)3], has the dithiocarbamate ligand symmetrically chelating one CuI atom and each of the S atoms bridging to another CuI atom. Both chloride ligands are bridging, one being μ3- and the other μ2-bridging. Each Et3P ligand occupies a terminal position. Two of the CuI atoms exist within Cl2PS donor sets and the third is based on a ClPS2 donor set, with each coordination geometry based on a distorted tetrahedron. The constituents defining the core of the molecule, i.e. Cu3Cl2S2, 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.http://scripts.iucr.org/cgi-bin/paper?S2056989017005382crystal structurecopper(I)dithiocarbamateHirshfeld surface analysis |
| spellingShingle | Yi Jiun Tan Chien Ing Yeo Nathan R. Halcovitch Mukesh M. Jotani Edward R. T. Tiekink μ3-Chlorido-μ2-chlorido-(μ3-pyrrolidine-1-carbodithioato-κ4S:S,S′:S′)tris[(triethylphosphane-κP)copper(I)]: crystal structure and Hirshfeld surface analysis Acta Crystallographica Section E: Crystallographic Communications crystal structure copper(I) dithiocarbamate Hirshfeld surface analysis |
| title | μ3-Chlorido-μ2-chlorido-(μ3-pyrrolidine-1-carbodithioato-κ4S:S,S′:S′)tris[(triethylphosphane-κP)copper(I)]: crystal structure and Hirshfeld surface analysis |
| title_full | μ3-Chlorido-μ2-chlorido-(μ3-pyrrolidine-1-carbodithioato-κ4S:S,S′:S′)tris[(triethylphosphane-κP)copper(I)]: crystal structure and Hirshfeld surface analysis |
| title_fullStr | μ3-Chlorido-μ2-chlorido-(μ3-pyrrolidine-1-carbodithioato-κ4S:S,S′:S′)tris[(triethylphosphane-κP)copper(I)]: crystal structure and Hirshfeld surface analysis |
| title_full_unstemmed | μ3-Chlorido-μ2-chlorido-(μ3-pyrrolidine-1-carbodithioato-κ4S:S,S′:S′)tris[(triethylphosphane-κP)copper(I)]: crystal structure and Hirshfeld surface analysis |
| title_short | μ3-Chlorido-μ2-chlorido-(μ3-pyrrolidine-1-carbodithioato-κ4S:S,S′:S′)tris[(triethylphosphane-κP)copper(I)]: crystal structure and Hirshfeld surface analysis |
| title_sort | μ3 chlorido μ2 chlorido μ3 pyrrolidine 1 carbodithioato κ4s s s s tris triethylphosphane κp copper i crystal structure and hirshfeld surface analysis |
| topic | crystal structure copper(I) dithiocarbamate Hirshfeld surface analysis |
| url | http://scripts.iucr.org/cgi-bin/paper?S2056989017005382 |
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