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Information card for entry 2008411
Preview
| Coordinates | 2008411.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 2,4-Di(triphenylphosphino)-closo-decaborane-Dichloromethane (1/1) |
|---|---|
| Formula | C37 H40 B10 Cl2 P2 |
| Calculated formula | C37 H40 B10 Cl2 P2 |
| SMILES | [P](c1ccccc1)(c1ccccc1)(c1ccccc1)[B]1234[BH]56[BH]781[B]195([P](c5ccccc5)(c5ccccc5)(c5ccccc5))[BH]526[BH]263[BH]347[BH]481[BH]952[BH]634.C(Cl)Cl |
| Title of publication | 2,4-Bis(triphenylphosphino)-<i>closo</i>-decaborane‒dichloromethane (1/1) |
| Authors of publication | Yao, Hai-Jun; Hu, Chun-Hua; Dou, Jian-Min; Jin, Ruo-Shui; Zheng, Pei-Ju |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 4 |
| Pages of publication | IUC9900033 |
| a | 10.077 ± 0.004 Å |
| b | 13.231 ± 0.003 Å |
| c | 17.167 ± 0.004 Å |
| α | 98.14 ± 0.02° |
| β | 106.12 ± 0.03° |
| γ | 111.12 ± 0.03° |
| Cell volume | 1975.2 ± 1.2 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.057 |
| Weighted residual factors for all reflections included in the refinement | 0.198 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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