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Information card for entry 3500083
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| Coordinates | 3500083.cif |
|---|---|
| Structure factors | 3500083.hkl |
| Common name | tetrahexylammonium iodide |
|---|---|
| Formula | C24 H52 I N |
| Calculated formula | C24 H52 I N |
| Title of publication | Tetrahexylammonium Iodide |
| Authors of publication | Thierry Maris |
| Journal of publication | Personal communication to COD |
| Year of publication | 2019 |
| a | 10.0773 ± 0.0011 Å |
| b | 10.0124 ± 0.0011 Å |
| c | 26.219 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2645.4 ± 0.5 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 4 |
| Space group number | 41 |
| Hermann-Mauguin space group symbol | A e a 2 |
| Hall space group symbol | A 2 -2ab |
| Residual factor for all reflections | 0.0689 |
| Residual factor for significantly intense reflections | 0.0603 |
| Weighted residual factors for significantly intense reflections | 0.1736 |
| Weighted residual factors for all reflections included in the refinement | 0.1833 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.173 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 245321 (current) | 2019-12-18 | cif/ hkl/ Updating files of 3500083 Original log message: Added Title/Name |
3500083.cif 3500083.hkl |
| 245266 | 2019-12-17 | cif/ hkl/ Adding structures of 3500083 via cif-deposit CGI script. |
3500083.cif 3500083.hkl |
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Users of the data should acknowledge the original authors of the
structural data.