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Information card for entry 4301616
Preview
| Coordinates | 4301616.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Cesium octakis(mu3-sulfido)-hexaformato-hexa-rhenium(III) |
|---|---|
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179054 (current) | 2016-03-22 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/16. |
4301616.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4301616.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4301616.cif |
| 1054 | 2010-03-28 | cif/4/ Adding data extracted in Inorg-Chem-2009_01-10/ processing. |
4301616.cif |
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