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Information card for entry 3500086
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| Coordinates | 3500086.cif |
|---|---|
| Structure factors | 3500086.hkl |
| Common name | tetramethylammonium bromide |
|---|---|
| Formula | C4 H12 Br N |
| Calculated formula | C4 H12 Br N |
| Title of publication | Tetramethylammonium bromide |
| Authors of publication | Thierry Maris |
| Journal of publication | Personal communication to COD |
| Year of publication | 2019 |
| a | 7.659 ± 0.0003 Å |
| b | 7.659 ± 0.0003 Å |
| c | 5.4566 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 320.09 ± 0.02 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 4 |
| Space group number | 129 |
| Hermann-Mauguin space group symbol | P 4/n m m :2 |
| Hall space group symbol | -P 4a 2a |
| Residual factor for all reflections | 0.0204 |
| Residual factor for significantly intense reflections | 0.0199 |
| Weighted residual factors for significantly intense reflections | 0.0493 |
| Weighted residual factors for all reflections included in the refinement | 0.0496 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.17 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 245324 (current) | 2019-12-18 | cif/ hkl/ Updating files of 3500086 Original log message: Added Title/Name |
3500086.cif 3500086.hkl |
| 245269 | 2019-12-17 | cif/ hkl/ Adding structures of 3500086 via cif-deposit CGI script. |
3500086.cif 3500086.hkl |
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Users of the data should acknowledge the original authors of the
structural data.