Information card for entry 4063920

Structure parameters

• Formula: C30 H32 Al Cl4 Mo O3 P
• Calculated formula: C30 H32 Al Cl4 Mo O3 P
• SMILES: C([Mo]1234(C#[O])(C#[O])([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)[P]1(C(=C1c1ccccc1)c1ccccc1)C(C)C)#[O].[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: 14.7978 ± 0.0005 Å
• b: 12.7849 ± 0.0005 Å
• c: 17.8839 ± 0.0007 Å
• α: 90°
• β: 94.236 ± 0.001°
• γ: 90°
• Cell volume: 3374.2 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0314
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No