Information card for entry 4101898

Structure parameters

• Formula: C27 H35 Al Br4 P
• Calculated formula: C27 H33 Al Br4 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: 13.57 ± 0.0007 Å
• b: 15.0537 ± 0.0008 Å
• c: 15.6353 ± 0.0008 Å
• α: 102.707 ± 0.003°
• β: 93.952 ± 0.003°
• γ: 102.129 ± 0.003°
• Cell volume: 3023.9 ± 0.3 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: 0.0651
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No