Information card for entry 4123087

Structure parameters

• Formula: C45 H58 Co N2 P Si
• Calculated formula: C45 H58 Co N2 P Si
• SMILES: [Co]([P](c1ccccc1)(c1ccccc1)c1ccccc1)(=C1N(C=CN1C12CC3CC(C2)CC(C3)C1)C12CC3CC(C2)CC(C3)C1)C[Si](C)(C)C
• 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: 40.118 ± 0.005 Å
• b: 10.1313 ± 0.0013 Å
• c: 19.364 ± 0.003 Å
• α: 90°
• β: 93.027 ± 0.002°
• γ: 90°
• Cell volume: 7859.5 ± 1.9 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No