Information card for entry 4110553

Structure parameters

• Formula: C52.5 H61 B Cl3 N2 Os P
• Calculated formula: C52.5 H58 B Cl3 N2 Os P
• Title of publication: C-H Bond Activation and Subsequent C-C Bond Formation Promoted by Osmium: 2-Vinylpyridine-Acetylene Couplings
• Authors of publication: Miguel A. Esteruelas; Francisco J. Fernández-Alvarez; Montserrat Oliván; Enrique Oñate
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 4596 - 4597
• a: 11.4068 ± 0.0018 Å
• b: 14.961 ± 0.002 Å
• c: 15.509 ± 0.003 Å
• α: 91.093 ± 0.003°
• β: 108.341 ± 0.002°
• γ: 109.829 ± 0.003°
• Cell volume: 2339.7 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0399
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections included in the refinement: 0.0638
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No