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Information card for entry 2011950
Preview
| Coordinates | 2011950.cif |
|---|---|
| Structure factors | 2011950.hkl |
| Original IUCr paper | HTML |
| Formula | C27 H15 B F15 N O |
|---|---|
| Calculated formula | C27 H15 B F15 N O |
| SMILES | [B-](O)(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.[NH+](c1c(cccc1)C)(C)C |
| Title of publication | Dimethyl(2-methylphenyl)ammonium hydroxotris(pentafluorophenyl)borate |
| Authors of publication | Stibrany, Robert T.; Brant, Patrick |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 5 |
| Pages of publication | 644 - 645 |
| a | 10.552 ± 0.005 Å |
| b | 15.287 ± 0.002 Å |
| c | 16.072 ± 0.009 Å |
| α | 90° |
| β | 96.6 ± 0.05° |
| γ | 90° |
| Cell volume | 2575.4 ± 1.9 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0708 |
| Residual factor for significantly intense reflections | 0.0444 |
| Weighted residual factors for all reflections included in the refinement | 0.1178 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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