Information card for entry 4111552

Structure parameters

• Formula: C28 H42 B2 Ru2
• Calculated formula: C28 H41 B2 Ru2
• SMILES: [Ru]123456789([H]%10[Ru]%11%12%13%14%15%16%171([H][BH]2%10%12[C]8(=[CH]9[BH]3%13[H]%11)c1ccccc1)[c]1([c]%17([c]%16([c]%15([c]%141C)C)C)C)C)[c]1([c]4([c]5([c]6([c]71C)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: 23.5289 ± 0.0014 Å
• b: 8.3396 ± 0.0004 Å
• c: 13.4889 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2646.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No