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Information card for entry 4301616
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Coordinates | 4301616.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Cesium octakis(mu3-sulfido)-hexaformato-hexa-rhenium(III) |
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Formula | C6 H6 Cs4 O12 Re6 S8 |
Calculated formula | C6 H6 Cs4 O12 Re6 S8 |
SMILES | C(=O)O[Re]1234567[S]8[Re]9%10%11%12%133([S]1[Re]13%14%156%13([S]2[Re]26%13%167%15([S]4[Re]4758%12%16([S]6[Re]%11%14%137([S]91)([S]32)([S]%104)OC=O)OC=O)OC=O)OC=O)OC=O.[Cs+].[Cs+].[Cs+].[Cs+] |
Title of publication | The First Octahedral Cluster Complexes With Terminal Formate Ligands: Synthesis, Structure, and Properties of K4[Re6S8(HCOO)6] and Cs4[Re6S8(HCOO)6] |
Authors of publication | Konstantin A. Brylev; Yuri V. Mironov; Svetlana G. Kozlova; Vladimir E. Fedorov; Sung-Jin Kim; Hans-Jürgen Pietzsch; Holger Stephan; Akitaka Ito; Shoji Ishizaka; Noboru Kitamura |
Journal of publication | Inorganic Chemistry |
Year of publication | 2009 |
Journal volume | 48 |
Pages of publication | 2309 - 2315 |
a | 9.523 ± 0.004 Å |
b | 14.625 ± 0.006 Å |
c | 11.24 ± 0.005 Å |
α | 90° |
β | 107.62 ± 0.007° |
γ | 90° |
Cell volume | 1492 ± 1.1 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0336 |
Residual factor for significantly intense reflections | 0.0255 |
Weighted residual factors for significantly intense reflections | 0.058 |
Weighted residual factors for all reflections included in the refinement | 0.0598 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.971 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4301616.html
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