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Information card for entry 2005517
Preview
| Coordinates | 2005517.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Dicaesium ethyltrimethylammonium heptaphosphide-ammonia (1/2) |
|---|---|
| Formula | C5 H20 Cs2 N3 P7 |
| Calculated formula | C5 H20 Cs2 N3 P7 |
| SMILES | [Cs+].N.[Cs+].[P-]1P2[P-]P3P([P-]2)P13.[N+](CC)(C)(C)C.N |
| Title of publication | Dicaesium Ethyltrimethylammonium Heptaphosphide‒Ammonia (1/2) |
| Authors of publication | Korber, N.; Daniels, J. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 10 |
| Pages of publication | 2454 - 2457 |
| a | 11.89 ± 0.002 Å |
| b | 12.286 ± 0.003 Å |
| c | 13.579 ± 0.003 Å |
| α | 90° |
| β | 94.32 ± 0.02° |
| γ | 90° |
| Cell volume | 1978 ± 0.7 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 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 | 0.0441 |
| Residual factor for significantly intense reflections | 0.0408 |
| Weighted residual factors for all reflections | 0.1073 |
| Weighted residual factors for significantly intense reflections | 0.1055 |
| Goodness-of-fit parameter for all reflections | 1.199 |
| Goodness-of-fit parameter for significantly intense reflections | 1.221 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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