Information card for entry 4101895

Structure parameters

• Formula: C30 H40 Al Br3 P
• Calculated formula: C30 H40 Al Br3 P
• Title of publication: Room Temperature Reduction of CO2 to Methanol by Al-Based Frustrated Lewis Pairs and Ammonia Borane
• Authors of publication: Gabriel Ménard; Douglas W. Stephan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 1796 - 1797
• a: 10.5729 ± 0.0004 Å
• b: 11.2503 ± 0.0004 Å
• c: 13.1735 ± 0.0005 Å
• α: 84.716 ± 0.002°
• β: 85.767 ± 0.002°
• γ: 76.403 ± 0.002°
• Cell volume: 1514.37 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0786
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No