Information card for entry 4079485

Structure parameters

• Formula: C22 H31 F2 N O Si W
• Calculated formula: C22 H31 F2 N O 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)(c1c(ccc(c1)F)F)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: 11.4956 ± 0.0007 Å
• b: 11.1957 ± 0.0006 Å
• c: 17.5205 ± 0.0008 Å
• α: 90°
• β: 97.53 ± 0.004°
• γ: 90°
• Cell volume: 2235.5 ± 0.2 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 7
• 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: 0.0547
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0508
• Weighted residual factors for all reflections included in the refinement: 0.0558
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No