Information card for entry 4079431

Structure parameters

• Formula: C22 H39 N O2 Si W
• Calculated formula: C22 H39 N O2 Si W
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[W]162345(C[CH]1=[CH]6[Si](C)(C)C)(C(=O)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: 12.1444 ± 0.0003 Å
• b: 11.495 ± 0.0004 Å
• c: 17.3264 ± 0.0006 Å
• α: 90°
• β: 104.265 ± 0.001°
• γ: 90°
• Cell volume: 2344.18 ± 0.13 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0241
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections included in the refinement: 0.0539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No