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Information card for entry 2242176
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| Coordinates | 2242176.cif |
|---|---|
| Structure factors | 2242176.hkl |
| Original IUCr paper | HTML |
| Chemical name | Triphenylphosphoniummethylenetrifluoroborate |
|---|---|
| Formula | C19 H17 B F3 P |
| Calculated formula | C19 H17 B F3 P |
| SMILES | [P+](C[B](F)(F)F)(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Crystal structure of triphenylphosphoniummethylenetrifluoroborate |
| Authors of publication | Bateman, Christopher M.; Zakharov, Lev N.; Abbey, Eric R. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 8 |
| Pages of publication | 1140 - 1142 |
| a | 9.514 ± 0.002 Å |
| b | 9.87 ± 0.003 Å |
| c | 9.883 ± 0.003 Å |
| α | 64.609 ± 0.006° |
| β | 87.539 ± 0.007° |
| γ | 86.66 ± 0.007° |
| Cell volume | 836.8 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 all reflections | 0.0758 |
| Residual factor for significantly intense reflections | 0.0405 |
| Weighted residual factors for significantly intense reflections | 0.0827 |
| Weighted residual factors for all reflections included in the refinement | 0.0941 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199146 (current) | 2017-07-25 | cif/ hkl/ Adding structures of 2242176 via cif-deposit CGI script. |
2242176.cif 2242176.hkl |
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Users of the data should acknowledge the original authors of the
structural data.