Information card for entry 1559403

Structure parameters

• 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 ų
• 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