Information card for entry 4106222

Structure parameters

• Formula: C69 H70 B F25 N2 P2 Ru
• Calculated formula: C69 H70 B F25 N2 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: 12.8044 ± 0.0002 Å
• b: 24.7611 ± 0.0004 Å
• c: 22.1693 ± 0.0003 Å
• α: 90°
• β: 93.5095 ± 0.001°
• γ: 90°
• Cell volume: 7015.62 ± 0.18 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1407
• Residual factor for significantly intense reflections: 0.108
• Weighted residual factors for all reflections: 0.3318
• Weighted residual factors for significantly intense reflections: 0.2855
• Weighted residual factors for all reflections included in the refinement: 0.3318
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9759
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No