Information card for entry 4109949

Structure parameters

• Formula: C27 H52 O3 Si4 W
• Calculated formula: C27 H52 O3 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)C)[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: 13.8869 ± 0.0004 Å
• b: 8.9296 ± 0.0004 Å
• c: 26.3746 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3270.6 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.286
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No