Information card for entry 1520731

Structure parameters

• Formula: C27 H42 Br2.9 Cl2.1 N3 Se
• Calculated formula: C27 Br2.88 Cl2.12 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: 8.998 ± 0.002 Å
• b: 13.787 ± 0.003 Å
• c: 25.57 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3172.1 ± 1.2 ų
• Ambient diffraction temperature: 112 K
• Number of distinct elements: 6
• 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: 0.0678
• Weighted residual factors for significantly intense reflections: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No