Information card for entry 7039463

Structure parameters

• Formula: C8 H15 B9 O2 Ru
• Calculated formula: C8 H15 B9 O2 Ru
• SMILES: [C]12345[C]6789[Ru]%10%11%121([CH](C6)=[CH]%10C4)([BH]142[BH]263[BH]357[BH]576[BH]642[BH]2%121[BH]18%11[BH]935[BH]7621)(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: 7.1484 ± 0.0012 Å
• b: 11.29 ± 0.002 Å
• c: 8.5139 ± 0.0015 Å
• α: 90°
• β: 95.39 ± 0.007°
• γ: 90°
• Cell volume: 684.1 ± 0.2 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0167
• Residual factor for significantly intense reflections: 0.016
• Weighted residual factors for significantly intense reflections: 0.0347
• Weighted residual factors for all reflections included in the refinement: 0.0349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No