Information card for entry 4120058

Structure parameters

• Formula: C58 H72 Al N4
• Calculated formula: C58 H72 Al N4
• Title of publication: Aluminum-Ligand Cooperative N-H Bond Activation and an Example of Dehydrogenative Coupling
• Authors of publication: Thomas W. Myers; Louise A. Berben
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 9988 - 9990
• a: 11.2186 ± 0.0008 Å
• b: 11.9316 ± 0.0007 Å
• c: 19.0121 ± 0.0012 Å
• α: 82.302 ± 0.004°
• β: 75.827 ± 0.004°
• γ: 83.803 ± 0.005°
• Cell volume: 2437.7 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0846
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1752
• Weighted residual factors for all reflections included in the refinement: 0.1921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No