Information card for entry 4079430

Structure parameters

• Formula: C22 H37 N O Si W
• Calculated formula: C22 H37 N O Si W
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[WH]162345(C[C]1(=[CH]6[Si](C)(C)C)C1C=CCCC1)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: 22.9694 ± 0.0008 Å
• b: 9.2914 ± 0.0004 Å
• c: 21.8178 ± 0.0008 Å
• α: 90°
• β: 96.48 ± 0.002°
• γ: 90°
• Cell volume: 4626.6 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.022
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for significantly intense reflections: 0.0365
• Weighted residual factors for all reflections included in the refinement: 0.0375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No