Information card for entry 4101761

Structure parameters

• Formula: C14 H31 B11 Ru
• Calculated formula: C14 H31 B11 Ru
• SMILES: [Ru]123456789%10([C]%11%12%13(C)[BH]%14%151[BH]1%162[BH]2%173[BH]3%184[BH]45%11[BH]5%11%18[BH]%18%173[BH]3%162[C]%1512([BH]1%12%14[BH]%1345[BH]%11%18312)C)[c]1([cH]6[cH]7[c]8([cH]9[cH]%101)C(C)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: 9.9962 ± 0.0013 Å
• b: 12.7008 ± 0.0016 Å
• c: 16.033 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2035.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0306
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0605
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No