Information card for entry 4109951

Structure parameters

• Formula: C27 H52 O4 Si4 W
• Calculated formula: C27 H52 O4 Si4 W
• SMILES: [W]123456(C#[O])(C#[O])(C[CH]1=[C]2(O[SiH2]C([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)OC)[c]1([c]6([c]5([c]4([c]31C)C)C)CC)C
• Title of publication: Reactions of Hydrido(hydrosilylene)tungsten Complexes with α,β-Unsaturated Carbonyl Compounds: Selective Formation of (η3-Siloxyallyl)tungsten Complexes
• Authors of publication: Takahito Watanabe; Hisako Hashimoto; Hiromi Tobita
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 11338 - 11339
• a: 8.8185 ± 0.0005 Å
• b: 25.7459 ± 0.0008 Å
• c: 14.5946 ± 0.0007 Å
• α: 90°
• β: 96.0911 ± 0.0014°
• γ: 90°
• Cell volume: 3294.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0575
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.247
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No