Information card for entry 7101946

Structure parameters

• Formula: C22 H39 B9 Ru2
• Calculated formula: C22 H39 B9 Ru2
• SMILES: [Ru]123456789%10([BH]%11%12[Ru]%13%14%15%16%17%18%19%20%21([CH]%221%11[BH]1%113[BH]3%15%22[BH]%15%22%16[BH]%16%23%14[CH]2%12%13[BH]24%16[BH]451[BH]%113%15[BH]%22%2324)[c]1([cH]%21[cH]%20[c]%19([cH]%18[cH]%171)C)C(C)C)[c]1([cH]6[cH]7[c]8([cH]9[cH]%101)C)C(C)C
• 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: 17.658 ± 0.0011 Å
• b: 19.3688 ± 0.0012 Å
• c: 15.7105 ± 0.001 Å
• α: 90°
• β: 110.117 ± 0.003°
• γ: 90°
• Cell volume: 5045.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0903
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No