Information card for entry 1557020

Structure parameters

• Formula: C18 H28 Br10 N2 Se5
• Calculated formula: C18 Br10 N2 Se5
• SMILES: [N+](C)(c1ccccc1)(C)C.[Br-][Se]([Br-])(Br)(Br)(Br)Br.Br[Se][Se]Br.[N+](C)(C)(C)c1ccccc1.Br[Se][Se]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: 8.683 ± 0.002 Å
• b: 12.762 ± 0.003 Å
• c: 16.34 ± 0.003 Å
• α: 90°
• β: 104.29 ± 0.03°
• γ: 90°
• Cell volume: 1754.7 ± 0.7 ų
• Ambient diffraction temperature: 109 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1598
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.2031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No