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Information card for entry 3500135
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| Coordinates | 3500135.cif |
|---|---|
| Structure factors | 3500135.hkl |
| Common name | phenylmethanaminium hexane-1-6-diaminium trichloride |
|---|---|
| Formula | C13 H28 Cl3 N3 |
| Calculated formula | C13 H28 Cl3 N3 |
| Title of publication | phenylmethanaminium hexane-1-6-diaminium trichloride |
| Authors of publication | Thierry Maris |
| Journal of publication | Personal communication to COD |
| Year of publication | 2023 |
| a | 11.71 ± 0.0005 Å |
| b | 22.0828 ± 0.001 Å |
| c | 7.7088 ± 0.0004 Å |
| α | 90° |
| β | 107.487 ± 0.002° |
| γ | 90° |
| Cell volume | 1901.29 ± 0.16 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 4 |
| 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 | 0.0671 |
| Residual factor for significantly intense reflections | 0.0565 |
| Weighted residual factors for significantly intense reflections | 0.1544 |
| Weighted residual factors for all reflections included in the refinement | 0.1617 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
Version history
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Users of the data should acknowledge the original authors of the
structural data.