Information card for entry 4323498

Structure parameters

• Common name: tri-isopropylphosphinetricarbonylhydridetungsten dimer μ-diphenylsilane
• Formula: C48 H64 O6 P2 Si2 W2
• Calculated formula: C48 H62 O6 P2 Si2 W2
• SMILES: [P]([W]1(C#[O])(C#[O])(C#[O])[Si](c2ccccc2)(c2ccccc2)[W]([P](C(C)C)(C(C)C)C(C)C)(C#[O])(C#[O])(C#[O])[Si]1(c1ccccc1)c1ccccc1)(C(C)C)(C(C)C)C(C)C
• Title of publication: Comparison of H-H versus Si-H σ-Bond Coordination and Activation on 16e Metal Fragments. Organosilane, N2, and Ethylene Addition to the Agostic Complex W(CO)3(PR3)2 and Dynamic NMR Behavior of the Latter
• Authors of publication: Matthew D. Butts; Jeffrey C. Bryan; Xiao-Liang Luo; Gregory J. Kubas
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 3341 - 3353
• a: 15.76 ± 0.002 Å
• b: 17.427 ± 0.002 Å
• c: 17.957 ± 0.002 Å
• α: 90°
• β: 90.39 ± 0.008°
• γ: 90°
• Cell volume: 4931.8 ± 1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0863
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections: 0.1661
• Weighted residual factors for significantly intense reflections: 0.1462
• Goodness-of-fit parameter for all reflections: 1.05
• Goodness-of-fit parameter for significantly intense reflections: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No