Information card for entry 4109665

Structure parameters

• Formula: C61.25 H81.5 B Cl0.5 N2 Os P2
• Calculated formula: C61.255 H81 B Cl0.5 N2 Os P2
• Title of publication: Sequential and Selective Hydrogenation of the Cα-Cβ and M-Cα Double Bonds of an Allenylidene Ligand Coordinated to Osmium: New Reaction Patterns between an Allenylidene Complex and Alcohols
• Authors of publication: Tamara Bolaño; Ricardo Castarlenas; Miguel A. Esteruelas; Enrique Oñate
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 8850 - 8859
• a: 18.323 ± 0.002 Å
• b: 18.073 ± 0.002 Å
• c: 17.688 ± 0.002 Å
• α: 90°
• β: 93.657 ± 0.002°
• γ: 90°
• Cell volume: 5845.5 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1134
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1518
• Weighted residual factors for all reflections included in the refinement: 0.1735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No