The mixed-valent copper thiolate complex hexakis{μ3-2-[(1,3-dimethylimidazolidene)amino]benzenethiolato}dicopper(II)tetracopper(I) bis(hexafluoridophosphate) acetonitrile disolvate dichloromethane disolvate
The molecular structure of the title compound, [Cu4ICu2II(C11H14N3S)6](PF6)2·2CH3CN·2CH2Cl2, shows a mixed-valent copper(I/II) thiolate complex with a distorted tetrahedral coordination of the CuI and CuII cations by one guanidine N atom and three S atoms each. Characteristic featu...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2013-01-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536812050428 |
| _version_ | 1818083234426126336 |
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| author | Adam Neuba Ulrich Flörke Gerald Henkel |
| author_facet | Adam Neuba Ulrich Flörke Gerald Henkel |
| author_sort | Adam Neuba |
| collection | DOAJ |
| description | The molecular structure of the title compound, [Cu4ICu2II(C11H14N3S)6](PF6)2·2CH3CN·2CH2Cl2, shows a mixed-valent copper(I/II) thiolate complex with a distorted tetrahedral coordination of the CuI and CuII cations by one guanidine N atom and three S atoms each. Characteristic features of the Cu6S6 skeleton are a total of six chemically identical μ3-thiolate bridges and almost planar Cu2S2 units with a maximum deviation of 0.110 (1) Å from the best plane. Each Cu2S2 unit then shares common Cu–S edges with a neighbouring unit; the enclosed dihedral angle is 60.14 (2)°. The geometric centre of the Cu6S6 cation lies on a crystallographic inversion centre. Cu—S bond lengths range from 2.294 (1) to 2.457 (1) Å, Cu—N bond lengths from 2.005 (3) to 2.018 (3) Å and the non-bonding Cu...Cu distances from 2.5743 (7) to 2.5892 (6) Å. C—H...F hydrogen-bond interactions occur between the PF6− anion and the complex molecule and between the PF6− anion and the acetonitrile solvent molecule. |
| first_indexed | 2024-12-10T19:34:45Z |
| format | Article |
| id | doaj.art-03980f7f9b034619bce39b8dd1ecf55b |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-10T19:34:45Z |
| publishDate | 2013-01-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-03980f7f9b034619bce39b8dd1ecf55b2022-12-22T01:36:10ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682013-01-01691m54m5510.1107/S1600536812050428The mixed-valent copper thiolate complex hexakis{μ3-2-[(1,3-dimethylimidazolidene)amino]benzenethiolato}dicopper(II)tetracopper(I) bis(hexafluoridophosphate) acetonitrile disolvate dichloromethane disolvateAdam NeubaUlrich FlörkeGerald HenkelThe molecular structure of the title compound, [Cu4ICu2II(C11H14N3S)6](PF6)2·2CH3CN·2CH2Cl2, shows a mixed-valent copper(I/II) thiolate complex with a distorted tetrahedral coordination of the CuI and CuII cations by one guanidine N atom and three S atoms each. Characteristic features of the Cu6S6 skeleton are a total of six chemically identical μ3-thiolate bridges and almost planar Cu2S2 units with a maximum deviation of 0.110 (1) Å from the best plane. Each Cu2S2 unit then shares common Cu–S edges with a neighbouring unit; the enclosed dihedral angle is 60.14 (2)°. The geometric centre of the Cu6S6 cation lies on a crystallographic inversion centre. Cu—S bond lengths range from 2.294 (1) to 2.457 (1) Å, Cu—N bond lengths from 2.005 (3) to 2.018 (3) Å and the non-bonding Cu...Cu distances from 2.5743 (7) to 2.5892 (6) Å. C—H...F hydrogen-bond interactions occur between the PF6− anion and the complex molecule and between the PF6− anion and the acetonitrile solvent molecule.http://scripts.iucr.org/cgi-bin/paper?S1600536812050428 |
| spellingShingle | Adam Neuba Ulrich Flörke Gerald Henkel The mixed-valent copper thiolate complex hexakis{μ3-2-[(1,3-dimethylimidazolidene)amino]benzenethiolato}dicopper(II)tetracopper(I) bis(hexafluoridophosphate) acetonitrile disolvate dichloromethane disolvate Acta Crystallographica Section E |
| title | The mixed-valent copper thiolate complex hexakis{μ3-2-[(1,3-dimethylimidazolidene)amino]benzenethiolato}dicopper(II)tetracopper(I) bis(hexafluoridophosphate) acetonitrile disolvate dichloromethane disolvate |
| title_full | The mixed-valent copper thiolate complex hexakis{μ3-2-[(1,3-dimethylimidazolidene)amino]benzenethiolato}dicopper(II)tetracopper(I) bis(hexafluoridophosphate) acetonitrile disolvate dichloromethane disolvate |
| title_fullStr | The mixed-valent copper thiolate complex hexakis{μ3-2-[(1,3-dimethylimidazolidene)amino]benzenethiolato}dicopper(II)tetracopper(I) bis(hexafluoridophosphate) acetonitrile disolvate dichloromethane disolvate |
| title_full_unstemmed | The mixed-valent copper thiolate complex hexakis{μ3-2-[(1,3-dimethylimidazolidene)amino]benzenethiolato}dicopper(II)tetracopper(I) bis(hexafluoridophosphate) acetonitrile disolvate dichloromethane disolvate |
| title_short | The mixed-valent copper thiolate complex hexakis{μ3-2-[(1,3-dimethylimidazolidene)amino]benzenethiolato}dicopper(II)tetracopper(I) bis(hexafluoridophosphate) acetonitrile disolvate dichloromethane disolvate |
| title_sort | mixed valent copper thiolate complex hexakis 956 3 2 1 3 dimethylimidazolidene amino benzenethiolato dicopper ii tetracopper i bis hexafluoridophosphate acetonitrile disolvate dichloromethane disolvate |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536812050428 |
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