Information card for entry 4322321

Structure parameters

• Formula: C40 H44 Al Li N8
• Calculated formula: C40 H44 Al Li N8
• SMILES: [Al]([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1.[Li]([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1
• Title of publication: Synthesis and Structural Characterization of (1,4-Dihydropyrid-1-yl)aluminum Complexes
• Authors of publication: Karl Hensen; Alexander Lemke; Thorsten Stumpf; Michael Bolte; Holger Fleischer; Colin R. Pulham; Robert O. Gould; Steven Harris
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 4700 - 4704
• a: 16.3857 ± 0.0002 Å
• b: 16.3857 ± 0.0002 Å
• c: 13.7272 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3685.63 ± 0.08 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.1265
• Residual factor for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections: 0.2926
• Weighted residual factors for significantly intense reflections: 0.2575
• Weighted residual factors for all reflections included in the refinement: 0.2926
• Goodness-of-fit parameter for all reflections: 1.071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No