Information card for entry 4063921

Structure parameters

• Formula: C34 H37 Al Cl4 Mo O3 P2
• Calculated formula: C34 H37 Al Cl4 Mo O3 P2
• SMILES: C(#[O])[Mo]1234(C#[O])(C#[O])([c]5([c]4([c]3([c]2([c]15C)C)C)C)C)P(C(C)C)[P+](c1ccccc1)(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: 16.5644 ± 0.001 Å
• b: 17.784 ± 0.001 Å
• c: 25.9283 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7638 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No