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Information card for entry 3500084
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| Coordinates | 3500084.cif |
|---|---|
| Structure factors | 3500084.hkl |
| Common name | tetraheptylammonium bromide |
|---|---|
| Formula | C28 H60 Br N |
| Calculated formula | C28 H60 Br N |
| Title of publication | Tetraheptylammonium bromide |
| Authors of publication | Thierry Maris |
| Journal of publication | Personal communication to COD |
| Year of publication | 2019 |
| a | 9.787 ± 0.0005 Å |
| b | 9.7825 ± 0.0005 Å |
| c | 31.3951 ± 0.0018 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3005.8 ± 0.3 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 | 0.0354 |
| Residual factor for significantly intense reflections | 0.0353 |
| Weighted residual factors for significantly intense reflections | 0.0846 |
| Weighted residual factors for all reflections included in the refinement | 0.0849 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 245322 (current) | 2019-12-18 | cif/ hkl/ Updating files of 3500084 Original log message: Added Title/Name |
3500084.cif 3500084.hkl |
| 245267 | 2019-12-17 | cif/ hkl/ Adding structures of 3500084 via cif-deposit CGI script. |
3500084.cif 3500084.hkl |
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Users of the data should acknowledge the original authors of the
structural data.