Information card for entry 7003725

Structure parameters

• Formula: C36 H44 Al2 N4
• Calculated formula: C36 H44 Al2 N4
• SMILES: [Al]1(N(c2c(cccc2C)C)c2ccccc2C=[N]1CC[N]1[Al](N(c2c(cccc2C)C)c2ccccc2C=1)(C)C)(C)C
• Title of publication: Bimetallic anilido-aldimine Al or Zn complexes for efficient ring-opening polymerization of ε-caprolactone
• Authors of publication: Yao, Wei; Mu, Ying; Gao, Aihong; Gao, Wei; Ye, Ling
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 24
• Pages of publication: 3199 - 3206
• a: 7.1734 ± 0.0014 Å
• b: 9.0776 ± 0.0018 Å
• c: 13.563 ± 0.003 Å
• α: 96.84 ± 0.03°
• β: 92.58 ± 0.03°
• γ: 103.15 ± 0.03°
• Cell volume: 851.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1971
• Residual factor for significantly intense reflections: 0.0837
• Weighted residual factors for significantly intense reflections: 0.2163
• Weighted residual factors for all reflections included in the refinement: 0.2658
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No