Information card for entry 1520730

Structure parameters

• Formula: C27 H42 Br5 N3 Se
• Calculated formula: C27 Br5 N3 Se
• Title of publication: Crystal Structures of Phenyltrimethylammonium Salts of Tetrabromoselenate(II) Bromide, [C6H5(CH3)3N]2[SeBr4].[C6H5(CH3)3N]Br and a Mixed Tetra(bromo/chloro)selenate(II).
• 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: 441 - 444
• a: 9.061 ± 0.002 Å
• b: 13.872 ± 0.004 Å
• c: 25.894 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3254.7 ± 1.3 ų
• Ambient diffraction temperature: 105 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No