Information card for entry 4101759

Structure parameters

• Formula: C6 H21 B11 Si
• Calculated formula: C6 H21 B11 Si
• SMILES: [Si]1(C[C]234[C]56([BH]789[BH]%10%112[BH]2%124[BH]4%1336[BH]358[BH]569[BH]87%10[BH]7%11%12[BH]92%13[BH]345[BH]6879)C1)(C)C
• Title of publication: Role of c,c'-linkage in the formation and stabilization of supercarboranes. Synthesis and structure of carbon-atoms-apart 13-vertex carborane and 14-vertex metallacarborane.
• Authors of publication: Zhang, Jian; Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Journal issue: 1
• Pages of publication: 18 - 19
• a: 10.33 ± 0.007 Å
• b: 10.249 ± 0.007 Å
• c: 14.12 ± 0.008 Å
• α: 90°
• β: 95.595 ± 0.014°
• γ: 90°
• Cell volume: 1487.8 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0893
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1333
• Weighted residual factors for all reflections included in the refinement: 0.1654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No