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Information card for entry 1559403
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Coordinates | 1559403.cif |
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Original paper (by DOI) | HTML |
Common name | [C6H5(CH3)3N][SeCNBr2] |
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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 |
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258576 (current) | 2020-10-23 | cif/ Adding structures of 1559403 via cif-deposit CGI script. |
1559403.cif |
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