Information card for entry 4323205

Structure parameters

• Formula: C4 H10 B11 Br12 N
• Calculated formula: C3 H9 B12 Br12 N
• Title of publication: Highly Chlorinated, Brominated, and Iodinated Icosahedral Carborane Anions: 1-H-CB11X11-, 1-CH3-CB11X11- (X = Cl, Br, I); 1-Br-CB11Br11-
• Authors of publication: Zuowei Xie; Chi-Wing Tsang; Eric Tung-Po Sze; Qingchuan Yang; Dominic T. W. Chan; Thomas C. W. Mak
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 6444 - 6451
• a: 17.7425 ± 0.0006 Å
• b: 17.76 ± 0.0006 Å
• c: 17.7669 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5598.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 69
• Hermann-Mauguin space group symbol: F m m m
• Hall space group symbol: -F 2 2
• Residual factor for all reflections: 0.0857
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for all reflections: 0.1016
• Weighted residual factors for significantly intense reflections: 0.0692
• Goodness-of-fit parameter for all reflections: 0.905
• Goodness-of-fit parameter for significantly intense reflections: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No