Information card for entry 1543993

Structure parameters

• Formula: C32 H40 Al2 N2 O2
• Calculated formula: C32 H40 Al2 N2 O2
• SMILES: [Al]1(OC2=C(C=[N]1[C@@H]1[C@@H]([N]3[Al](OC4=C(C=3)CCc3c4cccc3)(C)C)CCCC1)CCc1c2cccc1)(C)C.[Al]1(OC2=C(C=[N]1[C@H]1[C@H]([N]3[Al](OC4=C(C=3)CCc3c4cccc3)(C)C)CCCC1)CCc1c2cccc1)(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: 10.1875 ± 0.0007 Å
• b: 23.8487 ± 0.0016 Å
• c: 12.0803 ± 0.0008 Å
• α: 90°
• β: 96.1673 ± 0.0016°
• γ: 90°
• Cell volume: 2918 ± 0.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No