Information card for entry 4111554

Structure parameters

• Formula: C39 H57 B2 Ru2
• Calculated formula: C39 H57 B2 Ru2
• 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: 16.8511 ± 0.0003 Å
• b: 10.4446 ± 0.0002 Å
• c: 22.1732 ± 0.0004 Å
• α: 90°
• β: 110.362 ± 0.001°
• γ: 90°
• Cell volume: 3658.69 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.0707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No