Information card for entry 4111556

Structure parameters

• Formula: C28 H40 B2 Ru2
• Calculated formula: C28 H40 B2 Ru2
• SMILES: [Ru]123456789([Ru]%10%11%12%13%14%15%16%17([BH]%181([H]2%10)[CH]19[BH]3%11([H]4%12)[C]%17%181c1ccccc1)[c]1([c]%16([c]%15([c]%14([c]%131C)C)C)C)C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C
• Title of publication: Cooperative Metal-Boron Interactions in the Reaction of nido-1,2-(Cp*RuH)2B3H7, Cp* = η5-C5Me5, with HC\τbCPh
• Authors of publication: Hong Yan; Bruce C. Noll; Thomas P. Fehlner
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 4831 - 4844
• a: 9.002 ± 0.0002 Å
• b: 9.8968 ± 0.0002 Å
• c: 16.2319 ± 0.0004 Å
• α: 101.611 ± 0.002°
• β: 94.952 ± 0.002°
• γ: 103.013 ± 0.002°
• Cell volume: 1366.95 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No