Information card for entry 7004099

Structure parameters

• Formula: C36 H40 Al2 N4 O
• Calculated formula: C36 H40 Al2 N4 O
• SMILES: [Al]1(O[Al]2([N](=C(C=C(N2c2ccccc2)C)C)c2ccccc2)C)(N(C(=CC(=[N]1c1ccccc1)C)C)c1ccccc1)C
• Title of publication: β-Diketiminate aluminium complexes: synthesis, characterization and ring-opening polymerization of cyclic esters
• Authors of publication: Gong, Shaogang; Ma, Haiyan
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 25
• Pages of publication: 3345 - 3357
• a: 15.5268 ± 0.0011 Å
• b: 19.5571 ± 0.0015 Å
• c: 22.6748 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6885.4 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1148
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 0.848
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No