Information card for entry 4063922

Structure parameters

• Formula: C28 H34 Al Cl4 Mo O3 P Si
• Calculated formula: C28 H34 Al Cl4 Mo O3 P Si
• SMILES: C(#[O])[Mo]1234(C#[O])(C#[O])([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)[PH](C(C)C)[SiH](c1ccccc1)c1ccccc1.[Al](Cl)(Cl)(Cl)[Cl-]
• Title of publication: Formation and Reactivity of a Transient Cationic Alkyl Phosphinidene Complex
• Authors of publication: Rajagopalan, Rakesh A.; Sterenberg, Brian T.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 11
• Pages of publication: 2933
• a: 13.8337 ± 0.0015 Å
• b: 14.3943 ± 0.0016 Å
• c: 18.364 ± 0.002 Å
• α: 90°
• β: 111.418 ± 0.001°
• γ: 90°
• Cell volume: 3404.2 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.0605
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1825
• Weighted residual factors for all reflections included in the refinement: 0.1847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.232
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No