Information card for entry 4110552

Structure parameters

• Formula: C24 H34 F3 N2 O3 Os P S
• Calculated formula: C24 H34 F3 N2 O3 Os P S
• SMILES: [Os]123([P](C(C)C)(C(C)C)C(C)C)(OS(=O)(=O)C(F)(F)F)([n]4c([CH]1=[CH2]2)cccc4)[n]1c(C=C3)cccc1
• 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: 10.5859 ± 0.0016 Å
• b: 11.2148 ± 0.0017 Å
• c: 12.3287 ± 0.0018 Å
• α: 93.636 ± 0.002°
• β: 98.066 ± 0.002°
• γ: 111.55 ± 0.002°
• Cell volume: 1337.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0223
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0373
• Weighted residual factors for all reflections included in the refinement: 0.0378
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No