Information card for entry 1543994

Structure parameters

• Formula: C31 H40 Al2 N2 O2
• Calculated formula: C31 H40 Al2 N2 O2
• SMILES: [Al]1(OC2=C(CCc3c2cccc3)C=[N]1CC(C)(C)C[N]1[Al](OC2=C(C=1)CCc1ccccc21)(C)C)(C)C
• Title of publication: Bimetallic aluminum complexes with cyclic β-ketiminato ligands: the cooperative effect improves their capability in polymerization of lactide and ε-caprolactone
• Authors of publication: Huang, Hai-Chao; Wang, Bin; Zhang, Yan-Ping; Li, Yue-Sheng
• Journal of publication: Polym. Chem.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 37
• Pages of publication: 5819
• a: 7.4541 ± 0.0008 Å
• b: 12.2711 ± 0.0013 Å
• c: 15.7103 ± 0.0015 Å
• α: 77.64 ± 0.006°
• β: 81.252 ± 0.006°
• γ: 80.078 ± 0.006°
• Cell volume: 1372.8 ± 0.2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No