Information card for entry 7039464

Structure parameters

• Formula: C11 H24 B9 O2 P Ru
• Calculated formula: C11 H24 B9 O2 P Ru
• SMILES: [C]12345[C]678(CC=CC5)[Ru]591([P](C)(C)C)([BH]1%102[BH]2%113[BH]346[BH]46%11[BH]%11%102[BH]291[BH]175[BH]834[BH]6%1121)(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: 7.671 ± 0.006 Å
• b: 13.332 ± 0.01 Å
• c: 9.525 ± 0.008 Å
• α: 90°
• β: 103.45 ± 0.02°
• γ: 90°
• Cell volume: 947.4 ± 1.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.0554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No