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Information card for entry 4060279
Preview
| Coordinates | 4060279.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H17 B F4 O2 Ru S |
|---|---|
| Calculated formula | C21 H17 B F4 O2 Ru S |
| SMILES | [Ru]1234([S]5c6ccc(cc6c6cc(ccc56)C)C)(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45.[B](F)(F)(F)[F-] |
| Title of publication | Steric Effects in the Binding of Hindered Dibenzothiophene Ligands in [Cp'Ru(CO)~2~(η^1^(S)-DBTh)]^+^ Complexes |
| Authors of publication | Vecchi, Paul A.; Ellern, Arkady; Angelici, Robert J. |
| Journal of publication | Organometallics |
| Year of publication | 2005 |
| Journal volume | 24 |
| Journal issue | 9 |
| Pages of publication | 2168 - 2176 |
| a | 9.394 ± 0.004 Å |
| b | 11.003 ± 0.005 Å |
| c | 19.963 ± 0.009 Å |
| α | 90° |
| β | 98.66 ± 0.008° |
| γ | 90° |
| Cell volume | 2039.7 ± 1.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0833 |
| Residual factor for significantly intense reflections | 0.0787 |
| Weighted residual factors for significantly intense reflections | 0.1925 |
| Weighted residual factors for all reflections included in the refinement | 0.1945 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.222 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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