Information card for entry 7101945

Structure parameters

• Formula: C13 H26 B9 Cl3 Ru
• Calculated formula: C13 H26 B9 Cl3 Ru
• SMILES: [Ru]123456789([CH]%10%11%12[CH]%13%141[BH]1%15%12[BH]%12%16%11[BH]%112%10[BH]2%104[BH]43%13[BH]3%14%15[BH]%131%16[BH]%12%112[BH]%1043%13)[c]1([cH]9[cH]8[c]7([cH]6[cH]51)C(C)C)C.C(Cl)(Cl)Cl
• Title of publication: Symmetric and asymmetric 13-vertex bimetallacarboranes by polyhedral expansion.
• Authors of publication: Lopez, Maria Elena; Edie, Michael J; Ellis, David; Horneber, Anke; Macgregor, Stuart A; Rosair, Georgina M; Welch, Alan J
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 22
• Pages of publication: 2243 - 2245
• a: 9.6764 ± 0.0006 Å
• b: 9.6037 ± 0.0005 Å
• c: 22.9526 ± 0.0011 Å
• α: 90°
• β: 101.127 ± 0.003°
• γ: 90°
• Cell volume: 2092.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0797
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No