Information card for entry 4121921

Structure parameters

• Formula: C33 H51 Mo P3 Si2
• Calculated formula: C33 H51 Mo P3 Si2
• SMILES: [MoH2]1([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)[H][Si]([Si]([H]1)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2
• Title of publication: Si-H and Si-C Bond Cleavage Reactions of Silane and Phenylsilanes with Mo(PMe3)6: Silyl, Hypervalent Silyl, Silane, and Disilane Complexes.
• Authors of publication: Zuzek, Ashley A.; Parkin, Gerard
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 23
• Pages of publication: 8177 - 8180
• a: 11.5384 ± 0.0011 Å
• b: 16.2583 ± 0.0016 Å
• c: 19.167 ± 0.0019 Å
• α: 90°
• β: 102.975 ± 0.001°
• γ: 90°
• Cell volume: 3503.8 ± 0.6 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: 0.0627
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No