Information card for entry 4322322

Structure parameters

• Formula: C48 H60 Al Li N8
• Calculated formula: C48 H60 Al Li N8
• SMILES: [Al](N1C=CC(C)C=C1)(N1C=CC(C)C=C1)(N1C=CC(C)C=C1)N1C=CC(C)C=C1.[Li]([n]1ccc(C)cc1)([n]1ccc(C)cc1)([n]1ccc(C)cc1)[n]1ccc(C)cc1
• 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: 9.8484 ± 0.0001 Å
• b: 10.4148 ± 0.0001 Å
• c: 11.8007 ± 0.0001 Å
• α: 89.817 ± 0.001°
• β: 107.533 ± 0.001°
• γ: 90.358 ± 0.001°
• Cell volume: 1154.13 ± 0.02 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1071
• Residual factor for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections: 0.228
• Weighted residual factors for significantly intense reflections: 0.202
• Weighted residual factors for all reflections included in the refinement: 0.228
• Goodness-of-fit parameter for all reflections: 0.955
• 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