Information card for entry 1557018

Structure parameters

• Formula: C9 H14 Br3 N Se2
• Calculated formula: C9 Br3 N Se2
• SMILES: [N+](C)(C)(C)c1ccccc1.Br[Se][Se](Br)[Br-]
• Title of publication: Syntheses and Crystal Structures of Salts of Hexabromotetraselenate(I) and Hexabromoselenate(IV)bis{dibromodiselenate(I)}
• Authors of publication: Hauge, Sverre; Janickis, Vitalijus; Maroy, Kjartan
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1998
• Journal volume: 52
• Pages of publication: 1104 - 1108
• a: 8.618 ± 0.002 Å
• b: 12.914 ± 0.002 Å
• c: 13.609 ± 0.003 Å
• α: 90°
• β: 95.13 ± 0.02°
• γ: 90°
• Cell volume: 1508.5 ± 0.5 ų
• Ambient diffraction temperature: 112 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 all reflections: 0.144
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No