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Information card for entry 2204311
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| Coordinates | 2204311.cif |
|---|---|
| Structure factors | 2204311.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tetra-n-butylammonium hexafluorophosphate |
|---|---|
| Formula | C16 H36 F6 N P |
| Calculated formula | C16 H36 F6 N P |
| SMILES | [P](F)(F)(F)(F)(F)[F-].[N+](CCCC)(CCCC)(CCCC)CCCC |
| Title of publication | Tetra-<i>n</i>-butylammonium hexafluorophosphate |
| Authors of publication | Schödel, Frauke; Lerner, Hans-Wolfram; Bolte, Michael |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 10 |
| Pages of publication | o1680 - o1681 |
| a | 9.4057 ± 0.0019 Å |
| b | 13.593 ± 0.002 Å |
| c | 14.982 ± 0.003 Å |
| α | 90° |
| β | 91.367 ± 0.016° |
| γ | 90° |
| Cell volume | 1914.9 ± 0.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1072 |
| Residual factor for significantly intense reflections | 0.057 |
| Weighted residual factors for significantly intense reflections | 0.1402 |
| Weighted residual factors for all reflections included in the refinement | 0.1594 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.911 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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