Information card for entry 4081343

Structure parameters

• Formula: C50 H70 Al O P
• Calculated formula: C50 H70 Al O P
• Title of publication: Reactions of an Al‒P-Based Frustrated Lewis Pair with Carbonyl Compounds: Dynamic Coordination of Benzaldehyde, Activation of Benzoyl Chloride, and Al‒C Bond Cleavage with Benzamide
• Authors of publication: Uhl, Werner; Appelt, Christian
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 18
• Pages of publication: 5008
• a: 11.8657 ± 0.0012 Å
• b: 14.7612 ± 0.0013 Å
• c: 15.6305 ± 0.0012 Å
• α: 102.346 ± 0.004°
• β: 111.742 ± 0.005°
• γ: 106.627 ± 0.005°
• Cell volume: 2273.9 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No