Information card for entry 7039462

Structure parameters

• Formula: C9 H15 B9 O3 Ru
• Calculated formula: C9 H15 B9 O3 Ru
• SMILES: [BH]1234[BH]567[BH]89%10[C]%11%1236CC=CC[C]36%10%12[Ru]%104%11([BH]4%111[BH]125[BH]278[BH]596[BH]3%104[BH]%11125)(C#[O])(C#[O])C#[O]
• Title of publication: Further studies of the Enhanced Structural Carborane Effect: tricarbonylruthenium and related derivatives of benzocarborane, dihydrobenzocarborane and biphenylcarborane.
• Authors of publication: Powley, Samuel L.; Rosair, Georgina M.; Welch, Alan J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 29
• Pages of publication: 11742 - 11752
• a: 15.536 ± 0.011 Å
• b: 10.829 ± 0.007 Å
• c: 9.115 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1533.5 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0193
• Residual factor for significantly intense reflections: 0.0175
• Weighted residual factors for significantly intense reflections: 0.0406
• Weighted residual factors for all reflections included in the refinement: 0.0412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No