Information card for entry 4343003

Structure parameters

• Formula: C40 H68 Al2 N2 O4
• Calculated formula: C40 H68 Al2 N2 O4
• SMILES: c12c(cc(cc2C(C)(C)C)C)C[N]2([Al](O1)(C)C)CC[N]1(Cc3c(c(cc(c3)C)C(C)(C)C)O[Al]1(C)C)CC2.O1CCCC1.O1CCCC1
• Title of publication: Syntheses of Mononuclear and Dinuclear Aluminum Complexes Stabilized by Phenolato Ligands and Their Applications in the Polymerization of ε-Caprolactone: A Comparative Study.
• Authors of publication: Chen, Lijuan; Li, Wenyi; Yuan, Dan; Zhang, Yong; Shen, Qi; Yao, Yingming
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 4699 - 4708
• a: 9.588 ± 0.0011 Å
• b: 23.667 ± 0.003 Å
• c: 9.2489 ± 0.001 Å
• α: 90°
• β: 95.946 ± 0.003°
• γ: 90°
• Cell volume: 2087.5 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0672
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1414
• Weighted residual factors for all reflections included in the refinement: 0.1495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No