Information card for entry 7008284

Structure parameters

• Formula: C12 H26 B10 Ru
• Calculated formula: C12 H26 B10 Ru
• SMILES: [Ru]123456789%10([CH]%11%12[BH]%13%141[BH]1%15%16%12[BH]%122%11[BH]2%114[BH]41%12[BH]1%12%16[BH]%16%14%15[CH]%143%13[BH]352[BH]1%16%14[BH]%114%123)[c]1([cH]%10[cH]9[c]8([cH]7[cH]61)C)C(C)C
• Title of publication: Synthetic, spectroscopic, computational and structural studies of some 13-vertex ruthenacarboranes.
• Authors of publication: Burke, Anthony; Ellis, David; Ferrer, Daniel; Ormsby, Daniel L.; Rosair, Georgina M.; Welch, Alan J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 9
• Pages of publication: 1716 - 1721
• a: 17.0141 ± 0.0013 Å
• b: 15.6029 ± 0.0012 Å
• c: 26.372 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7001 ± 1.1 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No