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Information card for entry 4313198
Preview
| Coordinates | 4313198.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H42 O12 Ru3 S |
|---|---|
| Calculated formula | C30 H42 O12 Ru3 S |
| SMILES | CC1=CC(C)=[O][Ru]234(C5C(C)=[O][Ru]67([O]=C5C)([S]2[Ru]25(C(C(C)=[O]3)C(=[O]4)C)(OC(=CC(C)=[O]2)C)[O]=C(C)C6C(=[O]5)C)OC(=CC(C)=[O]7)C)O1 |
| Title of publication | First Example of μ3-Sulfido Bridged Mixed-Valent Triruthenium Complex Triangle RuIII2RuII(O,O-acetylacetonate)3(μ-O,O,γ-C-acetylacetonate)3(μ3-S) (1) Incorporating Simultaneous O,O- and γ-C-Bonded Bridging Acetylacetonate Units. Synthesis, Crystal Structure, and Spectral and Redox Properties |
| Authors of publication | Srikanta Patra; Biplab Mondal; Biprajit Sarkar; Mark Niemeyer; Goutam Kumar Lahiri |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2003 |
| Journal volume | 42 |
| Pages of publication | 1322 - 1327 |
| a | 16.458 ± 0.002 Å |
| b | 16.458 ± 0.002 Å |
| c | 47.153 ± 0.009 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 11061 ± 3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.1108 |
| Residual factor for significantly intense reflections | 0.0617 |
| Weighted residual factors for significantly intense reflections | 0.1007 |
| Weighted residual factors for all reflections included in the refinement | 0.1168 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269108 (current) | 2021-09-13 | cif/4 Fixing a few Z values and formulae |
4313198.cif |
| 179185 | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/31. |
4313198.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4313198.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4313198.cif |
| 6267 | 2011-01-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4313198 via cif-deposit CGI script. |
4313198.cif |
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