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Information card for entry 1559403
Preview
| Coordinates | 1559403.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [C6H5(CH3)3N][SeCNBr2] |
|---|---|
| Formula | C10 H14 Br2 N2 Se |
| Calculated formula | C10 Br2 N2 Se |
| SMILES | Br[Se](Br)C#N.[N+](C)(C)(C)c1ccccc1 |
| Title of publication | Reactions between Selenocyanate and Bromine. Syntheses and Crystal Structures of Phenyltrimethylammonium Salts of Dibromoselenocyanate, [C6H5(CH3)3N][SeCNBr2], and Bromodiselenocyanate, [C6H5(CH3)3N][(SeCN)2Br] |
| Authors of publication | Hauge, Sverre; Maroy, Kjartan |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1992 |
| Journal volume | 46 |
| Pages of publication | 1166 - 1169 |
| a | 6.166 ± 0.001 Å |
| b | 9.381 ± 0.001 Å |
| c | 23.892 ± 0.002 Å |
| α | 90° |
| β | 96.03 ± 0.01° |
| γ | 90° |
| Cell volume | 1374.3 ± 0.3 Å3 |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.063 |
| Weighted residual factors for significantly intense reflections | 0.053 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.195 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 258576 (current) | 2020-10-23 | cif/ Adding structures of 1559403 via cif-deposit CGI script. |
1559403.cif |
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