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Information card for entry 2005605
Preview
| Coordinates | 2005605.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C18 H38 B9 P S |
|---|---|
| Calculated formula | C18 H38 B9 P S |
| SMILES | [P]([BH]12[BH]345[BH]678[BH]9%10%11[BH]%1236[BH]3%11([S]%10[BH]679[H][BH]2568)[H][BH]134%12)(c1ccccc1)(C1CCCCC1)C1CCCCC1 |
| Title of publication | 9-Dicyclohexylphenylphosphino-<i>arachno</i>-6-thiadecaborane(11) |
| Authors of publication | Rosair, G. M.; Welch, A. J.; Weller, A. S. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 11 |
| Pages of publication | 2851 - 2853 |
| a | 10.432 ± 0.002 Å |
| b | 15.737 ± 0.003 Å |
| c | 15.406 ± 0.003 Å |
| α | 90° |
| β | 96.57 ± 0.02° |
| γ | 90° |
| Cell volume | 2512.6 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1839 |
| Residual factor for significantly intense reflections | 0.0694 |
| Weighted residual factors for all reflections | 0.188 |
| Weighted residual factors for significantly intense reflections | 0.1316 |
| Goodness-of-fit parameter for all reflections | 0.995 |
| Goodness-of-fit parameter for significantly intense reflections | 1.105 |
| 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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Users of the data should acknowledge the original authors of the
structural data.