Information card for entry 4079432

Structure parameters

• Formula: C21 H39 Mo N O Si
• Calculated formula: C21 H39 Mo N O Si
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Mo]162345(C[CH]1=[CH]6[Si](C)(C)C)(CC(C)(C)C)N=O)C)C)C)C
• Title of publication: Intermolecular C‒H Activations of Hydrocarbons Initiated by a Tungsten Trimethylsilylallyl Complex
• Authors of publication: Chow, Catherine; Patrick, Brian O.; Legzdins, Peter
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 21
• Pages of publication: 7453
• a: 11.045 ± 0.002 Å
• b: 14.93 ± 0.003 Å
• c: 14.878 ± 0.003 Å
• α: 90°
• β: 109.992 ± 0.005°
• γ: 90°
• Cell volume: 2305.6 ± 0.8 ų
• Cell temperature: 278 ± 2 K
• Ambient diffraction temperature: 278 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0721
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No