Information card for entry 4123086

Structure parameters

• Formula: C41 H47 Cl Co N2 P
• Calculated formula: C41 H47 Cl Co N2 P
• SMILES: [Co](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)=C1N(C=CN1C12CC3CC(C1)CC(C3)C2)C12CC3CC(C2)CC(C3)C1
• Title of publication: Regio- and Stereoselective Hydrosilylation of Alkynes Catalyzed by Three-Coordinate Cobalt(I) Alkyl and Silyl Complexes.
• Authors of publication: Mo, Zhenbo; Xiao, Jie; Gao, Yafei; Deng, Liang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Pages of publication: 141209075314002
• a: 10.8518 ± 0.001 Å
• b: 14.8683 ± 0.0014 Å
• c: 21.679 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3497.9 ± 0.6 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No