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Information card for entry 4301617
Preview
| Coordinates | 4301617.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Potassium octakis(mu3-sulfido)-hexaformato-hexa-rhenium(III) |
|---|---|
| Formula | C6 H6 K4 O12 Re6 S8 |
| Calculated formula | C6 H6 K4 O12 Re6 S8 |
| SMILES | C(=O)O[Re]1234567[S]8[Re]9%10%11%12%135([S]2[Re]25%14%1539([S]1[Re]139%167%15([S]2[Re]27%13%14%16([S]%105)([S]1[Re]68%1297([S]%112)([S]43)OC=O)OC=O)OC=O)OC=O)OC=O.[K+].[K+].[K+].[K+] |
| 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 | 17.6324 ± 0.0003 Å |
| b | 17.6324 ± 0.0003 Å |
| c | 17.6324 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5481.94 ± 0.16 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 205 |
| Hermann-Mauguin space group symbol | P a -3 |
| Hall space group symbol | -P 2ac 2ab 3 |
| Residual factor for all reflections | 0.0257 |
| Residual factor for significantly intense reflections | 0.0208 |
| Weighted residual factors for significantly intense reflections | 0.0444 |
| Weighted residual factors for all reflections included in the refinement | 0.0448 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.732 |
| 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. |
4301617.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4301617.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4301617.cif |
| 1054 | 2010-03-28 | cif/4/ Adding data extracted in Inorg-Chem-2009_01-10/ processing. |
4301617.cif |
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