Information card for entry 4114168

Structure parameters

• Chemical name: Carbon tetrabromide/Tetramethylammonium bromide Molecular complex 2:1
• Formula: C6 H12 Br9 N
• Calculated formula: C7.76 H13.44 Br9 N
• Title of publication: The Charge-Transfer Motif in Crystal Engineering. Self-Assembly of Acentric (Diamondoid) Networks from Halide Salts and Carbon Tetrabromide as Electron-Donor/Acceptor Synthons
• Authors of publication: Sergey V. Lindeman; Jürgen Hecht; Jay K. Kochi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 11597 - 11606
• a: 12.185 ± 0.0003 Å
• b: 12.185 ± 0.0003 Å
• c: 12.185 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1809.16 ± 0.08 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.0181
• Residual factor for significantly intense reflections: 0.0169
• Weighted residual factors for all reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0427
• Goodness-of-fit parameter for all reflections: 0.786
• Goodness-of-fit parameter for significantly intense reflections: 0.789
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No