Information card for entry 4086093

Structure parameters

• Formula: C31 H33 N O2 S Si W
• Calculated formula: C31 H33 N O2 S Si W
• SMILES: [W]12345([S]=c6n([Si]1(c1ccc(cc1)C)c1ccc(cc1)C)cccc6)(C#[O])(C#[O])[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• Title of publication: Direct Conversion of a Si‒C(aryl) Bond to Si‒Heteroatom Bonds in the Reactions of η3-α-Silabenzyl Molybdenum and Tungsten Complexes with 2-Substituted Pyridines
• Authors of publication: Kanno, Yuto; Komuro, Takashi; Tobita, Hiromi
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 15
• Pages of publication: 3699
• a: 16.1899 ± 0.0006 Å
• b: 9.3453 ± 0.0004 Å
• c: 19.8995 ± 0.0009 Å
• α: 90°
• β: 108.017 ± 0.0009°
• γ: 90°
• Cell volume: 2863.1 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No