Information card for entry 4106502

Structure parameters

• Formula: C49.4 H63 Al N4 Na O5
• Calculated formula: C49.4 H63 Al N4 Na O5
• 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: 18.9944 ± 0.0006 Å
• b: 11.5379 ± 0.0004 Å
• c: 23.2756 ± 0.0007 Å
• α: 90°
• β: 93.444 ± 0.002°
• γ: 90°
• Cell volume: 5091.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.102
• Residual factor for significantly intense reflections: 0.0839
• Weighted residual factors for significantly intense reflections: 0.2374
• Weighted residual factors for all reflections included in the refinement: 0.2552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No