Information card for entry 4079483

Structure parameters

• Formula: C22 H33 N O Si W
• Calculated formula: C22 H33 N O Si W
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[WH]162345([CH](=[CH]1C6[Si](C)(C)C)c1ccccc1)N=O)C)C)C)C
• Title of publication: Thermal Chemistry of a Tungsten Trimethylsilylallyl Complex in Benzene and Fluorobenzenes
• Authors of publication: Chow, Catherine; Patrick, Brian O.; Legzdins, Peter
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 23
• Pages of publication: 8159
• a: 8.4708 ± 0.0007 Å
• b: 13.6779 ± 0.0011 Å
• c: 19.548 ± 0.0018 Å
• α: 90°
• β: 97.85 ± 0.005°
• γ: 90°
• Cell volume: 2243.7 ± 0.3 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: 0.0451
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.0673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No