Information card for entry 4121920

Structure parameters

• Formula: C27 H43 Mo P3 Si
• Calculated formula: C27 H43 Mo P3 Si
• SMILES: [Mo]12345([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)[c]6([SiH](c7ccccc7)c7ccccc7)[cH]1[cH]2[cH]3[cH]4[cH]56
• 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: 13.762 ± 0.002 Å
• b: 9.4136 ± 0.0015 Å
• c: 23.238 ± 0.004 Å
• α: 90°
• β: 106.705 ± 0.002°
• γ: 90°
• Cell volume: 2883.4 ± 0.8 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0952
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No