Information card for entry 4323204

Structure parameters

• Formula: C H B11 Br11 Cs
• Calculated formula: B12 Br10.9212 Cs
• 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: 9.8243 ± 0.0014 Å
• b: 9.8243 ± 0.0014 Å
• c: 22.098 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1847.1 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for all reflections: 0.0877
• Weighted residual factors for significantly intense reflections: 0.0727
• Goodness-of-fit parameter for all reflections: 1.024
• Goodness-of-fit parameter for significantly intense reflections: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No