Information card for entry 1557019

Structure parameters

• Formula: C10 H16 Br3 N Se2
• Calculated formula: C10 Br3 N Se2
• SMILES: [N+](C)(C)(C)Cc1ccccc1.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: 8.417 ± 0.002 Å
• b: 12.673 ± 0.003 Å
• c: 14.813 ± 0.003 Å
• α: 90°
• β: 97.06 ± 0.03°
• γ: 90°
• Cell volume: 1568.1 ± 0.6 ų
• Ambient diffraction temperature: 114 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: 0.2419
• Residual factor for significantly intense reflections: 0.0858
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.2779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No