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Information card for entry 2011686
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| Coordinates | 2011686.cif |
|---|---|
| Structure factors | 2011686.hkl |
| Original IUCr paper | HTML |
| Chemical name | 5,6:8,9-bis-μH-4-carbonyl-4-hydrido-4-bis(trimethylphosphine)-4-irido- arachno-nonaborane(12) |
|---|---|
| Formula | C7 H31 B8 Ir O P2 |
| Calculated formula | C7 H31 B8 Ir O P2 |
| SMILES | [IrH]12(C#[O])([P](C)(C)C)([P](C)(C)C)[BH]345[BH]678[BH]9%103[BH]38%11([BH]78([H]3)[BH]146[H]8)[BH]19([H]%11)[BH]25%10[H]1 |
| Title of publication | Two iridanonaborane compounds |
| Authors of publication | Bould, Jonathan; Kennedy, John D.; Thornton-Pett, Mark; Barton, Lawrence; Rath, Nigam P. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 1 |
| Pages of publication | 49 - 51 |
| a | 9.2035 ± 0.0002 Å |
| b | 15.9788 ± 0.0005 Å |
| c | 13.2013 ± 0.0003 Å |
| α | 90° |
| β | 99.67 ± 0.002° |
| γ | 90° |
| Cell volume | 1913.81 ± 0.09 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 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 | 0.042 |
| Residual factor for significantly intense reflections | 0.041 |
| Weighted residual factors for all reflections included in the refinement | 0.105 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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