Information card for entry 4101894

Structure parameters

• Formula: C30 H36 Al Br0.5 Cl3 P
• Calculated formula: C30 H33 Al Br0.5 Cl3 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: 10.3628 ± 0.0005 Å
• b: 11.1182 ± 0.0005 Å
• c: 13.0439 ± 0.0006 Å
• α: 89.47 ± 0.003°
• β: 88.254 ± 0.003°
• γ: 80.848 ± 0.002°
• Cell volume: 1483.03 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0834
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1516
• Weighted residual factors for all reflections included in the refinement: 0.1671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No