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Information card for entry 7112268
Preview
| Coordinates | 7112268.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40.5 H49 Cl O P2 Ru S |
|---|---|
| Calculated formula | C40.5 H49 Cl O P2 Ru S |
| SMILES | [Ru]12345(Cl)([P](S[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C.O1CCCC1.CCCCC |
| Title of publication | A sulfur mimic of 1,1-bis(diphenylphosphino)methane: a new ligand opens up. |
| Authors of publication | Sues, Peter E.; Lough, Alan J.; Morris, Robert H. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2014 |
| Journal volume | 50 |
| Journal issue | 36 |
| Pages of publication | 4707 - 4710 |
| a | 28.8822 ± 0.0009 Å |
| b | 17.6795 ± 0.0006 Å |
| c | 15.4946 ± 0.0005 Å |
| α | 90° |
| β | 105.449 ± 0.001° |
| γ | 90° |
| Cell volume | 7626 ± 0.4 Å3 |
| Cell temperature | 147 ± 2 K |
| Ambient diffraction temperature | 147 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0493 |
| Residual factor for significantly intense reflections | 0.0471 |
| Weighted residual factors for significantly intense reflections | 0.1198 |
| Weighted residual factors for all reflections included in the refinement | 0.121 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.138 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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