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Information card for entry 2008060
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| Coordinates | 2008060.cif |
|---|---|
| Structure factors | 2008060.hkl |
| Original IUCr paper | HTML |
| Formula | C50 H38 Cl2 O11 P2 Ru3 |
|---|---|
| Calculated formula | C50 H38 Cl2 O11 P2 Ru3 |
| SMILES | [Ru]12([Ru]([Ru]1(C#[O])(C#[O])(C#[O])C2=O)(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)C.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)C.C(Cl)Cl |
| Title of publication | The [Ru~3~(CO)~11~]^2-^ dianion |
| Authors of publication | Liu, Jianping; Boyd, Edwin P.; Shore, Sheldon G. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 1 |
| Pages of publication | 29 - 30 |
| a | 9.486 ± 0.001 Å |
| b | 21.276 ± 0.004 Å |
| c | 25.266 ± 0.004 Å |
| α | 90° |
| β | 94.92 ± 0.01° |
| γ | 90° |
| Cell volume | 5080.5 ± 1.4 Å3 |
| Cell temperature | 213 ± 1 K |
| Number of distinct elements | 6 |
| 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 | 0.055 |
| Residual factor for significantly intense reflections | 0.033 |
| Weighted residual factors for all reflections | 0.139 |
| Weighted residual factors for all reflections included in the refinement | 0.084 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
Version history
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Users of the data should acknowledge the original authors of the
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