Information card for entry 4111555

Structure parameters

• Formula: C36 H48 B2 Ru2
• Calculated formula: C36 H48 B2 Ru2
• SMILES: [Ru]1234567([H]8[Ru]9%10%11%12%13%14([H]1[BH]([H]%13)[C]2(=[CH]3[B]8([H]%12)/C=C/c1ccccc1)c1ccccc1)[c]1([c]9([c]%10([c]%11([c]%141C)C)C)C)C)[c]1([c]4([c]7([c]6([c]51C)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: 38.6467 ± 0.0005 Å
• b: 13.3927 ± 0.0002 Å
• c: 12.5144 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6477.25 ± 0.14 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: 0.0281
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0528
• Weighted residual factors for all reflections included in the refinement: 0.0536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No