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Information card for entry 3500109
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| Coordinates | 3500109.cif |
|---|---|
| Structure factors | 3500109.hkl |
| Common name | tetrabutyl ammonium chloride hydrate |
|---|---|
| Chemical name | 1-Butanaminium, N,N,N-tributyl-, chloride, hydrate (1:0.07) |
| Formula | C16 H36.14 Cl N O0.07 |
| Calculated formula | C16 H36.14 Cl N O0.07 |
| Authors of publication | Thierry Maris |
| Journal of publication | Personal communication to COD |
| Year of publication | 2020 |
| a | 8.87 ± 0.0004 Å |
| b | 14.0927 ± 0.0006 Å |
| c | 14.8515 ± 0.0007 Å |
| α | 90° |
| β | 102.193 ± 0.002° |
| γ | 90° |
| Cell volume | 1814.59 ± 0.14 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 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 | 0.0355 |
| Residual factor for significantly intense reflections | 0.0345 |
| Weighted residual factors for significantly intense reflections | 0.092 |
| Weighted residual factors for all reflections included in the refinement | 0.0931 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 251911 (current) | 2020-05-08 | cif/ hkl/ Adding structures of 3500109 via cif-deposit CGI script. |
3500109.cif 3500109.hkl |
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Users of the data should acknowledge the original authors of the
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