Information card for entry 4106221

Structure parameters

• Formula: C75 H89 B2 F24 N P2 Ru
• Calculated formula: C75 H89 B2 F24 N P2 Ru
• Title of publication: Probing the Intrinisic Structure and Dynamics of Aminoborane Coordination at Late Transition Metal Centers: Mono(σ-BH) Binding in [CpRu(PR3)2(H2BNCy2)]+
• Authors of publication: Dragoslav Vidovic; David A. Addy; Tobias Krämer; John McGrady; Simon Aldridge
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 8494 - 8497
• a: 13.2296 ± 0.0002 Å
• b: 17.2074 ± 0.0003 Å
• c: 17.6001 ± 0.0003 Å
• α: 92.5084 ± 0.0007°
• β: 103.503 ± 0.0006°
• γ: 93.3378 ± 0.0007°
• Cell volume: 3882.45 ± 0.11 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0969
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections: 0.193
• Weighted residual factors for significantly intense reflections: 0.1748
• Weighted residual factors for all reflections included in the refinement: 0.1929
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9283
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No