Information card for entry 4111553

Structure parameters

• Formula: C36 H50 B2 Ru2
• Calculated formula: C36 H50 B2 Ru2
• SMILES: [Ru]1234567([H]8[Ru]9%10%11%12%13%14%15([BH]8([C]7(=[CH]1[B](CCc1ccccc1)([H]9)[H]2%11)c1ccccc1)[H]%10)[c]1([c]%12([c]%13([c]%14([c]%151C)C)C)C)C)[c]1([c]3([c]4([c]5([c]61C)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: 17.2749 ± 0.0002 Å
• b: 11.4652 ± 0.0001 Å
• c: 17.4982 ± 0.0002 Å
• α: 90°
• β: 106.88 ± 0.001°
• γ: 90°
• Cell volume: 3316.38 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.0595
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No