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Information card for entry 2002996
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| Coordinates | 2002996.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Tetramethylammonium Sulfate |
|---|---|
| Formula | C8 H24 N2 O4 S |
| Calculated formula | C8 H24 N2 O4 S |
| Title of publication | Structural Investigations of the Phase Transitions of Tetramethylammonium Sulfate |
| Authors of publication | Malchus, Michael; Jansen, Martin |
| Journal of publication | Acta Crystallographica, Section B |
| Year of publication | 1998 |
| Journal volume | 54 |
| Journal issue | 4 |
| Pages of publication | 494 - 502 |
| a | 7.5355 ± 0.0009 Å |
| b | 7.5355 ± 0.0009 Å |
| c | 10.991 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 624.11 ± 0.14 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 137 |
| Hermann-Mauguin space group symbol | P 42/n m c :1 |
| Hall space group symbol | P 4n 2n -1n |
| Residual factor for all reflections | 0.0407 |
| Residual factor for significantly intense reflections | 0.0364 |
| Weighted residual factors for all reflections | 0.0921 |
| Weighted residual factors for significantly intense reflections | 0.0888 |
| Goodness-of-fit parameter for all reflections | 1.174 |
| Goodness-of-fit parameter for significantly intense reflections | 1.194 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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