Information card for entry 1520718

Structure parameters

• Formula: C18 H28 Br5 Cl N2 Se2
• Calculated formula: C18 Br4.94 Cl1.06 N2 Se2
• Title of publication: Crystal Structures of Phenyltrimethylammonium Salts of Hexabromodiselenate(II), [C6H5(CH3)3N]2[Se2Br6], Hexachlorodiselenate(II), [C6H5(CH3)3N]2[Se2Cl6], and a Mixed Bromo/Chlorodiselenate(II), [C6H5(CH3)3N]2[Se2Br5Cl]
• 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: 435 - 440
• a: 9.371 ± 0.002 Å
• b: 10.054 ± 0.002 Å
• c: 28.685 ± 0.006 Å
• α: 90°
• β: 91.99 ± 0.03°
• γ: 90°
• Cell volume: 2701 ± 1 ų
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.222
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No