Information card for entry 4106504

Structure parameters

• Formula: C72 H92 Al2 N8 O2
• Calculated formula: C72 H90 Al2 N8 O2
• Title of publication: Countercations Direct One- or Two-Electron Oxidation of an Al(III) Complex and Al(III)-Oxo Intermediates Activate C-H Bonds
• Authors of publication: Thomas W. Myers; Louise A. Berben
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 11865 - 11867
• a: 21.4551 ± 0.0009 Å
• b: 9.6906 ± 0.0004 Å
• c: 16.8461 ± 0.0007 Å
• α: 90°
• β: 113.183 ± 0.001°
• γ: 90°
• Cell volume: 3219.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0926
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1534
• Weighted residual factors for all reflections included in the refinement: 0.1662
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No