Information card for entry 4079428

Structure parameters

• Formula: C21 H39 N O Si W
• Calculated formula: C21 H39 N O Si W
• SMILES: C(C(C)(C)C)[W]123456(N=O)([c]7([c]4([c]3([c]2([c]17C)C)C)C)C)C[CH]5=[CH]6[Si](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: 10.9969 ± 0.0005 Å
• b: 14.8174 ± 0.0006 Å
• c: 14.7423 ± 0.0006 Å
• α: 90°
• β: 109.878 ± 0.002°
• γ: 90°
• Cell volume: 2259.07 ± 0.17 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.02
• Residual factor for significantly intense reflections: 0.0165
• Weighted residual factors for significantly intense reflections: 0.0372
• Weighted residual factors for all reflections included in the refinement: 0.0383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No