Information card for entry 4109912

Structure parameters

• Formula: C18 H42 Al4
• Calculated formula: C18 H42 Al4
• SMILES: [Al]12(C)[H][Al]3(C)[H][Al](C)(C)[C]1(=CC3([Al](C)(C)[H]2)CC(C)(C)C)C(C)(C)C
• Title of publication: C-H Bond Activation by Hyperconjugation with Al-C Bonds and by Chelating Coordination of the Hydride Ion
• Authors of publication: Werner Uhl; Andrej Vinogradov; Stefan Grimme
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 11259 - 11264
• a: 9.3371 ± 0.001 Å
• b: 11.4499 ± 0.0012 Å
• c: 11.7615 ± 0.0012 Å
• α: 78.416 ± 0.002°
• β: 85.403 ± 0.002°
• γ: 89.98 ± 0.002°
• Cell volume: 1227.7 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.1514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No