Information card for entry 7054610

Structure parameters

• Formula: C34 H36 Al2 N2 O4
• Calculated formula: C34 H36 Al2 N2 O4
• SMILES: [Al]1([O]2[Al]345([N](Cc6c2cccc6)=Cc2c(O4)c(cc(c2)C)C)[N](Cc2c([O]15)cccc2)=Cc1cc(cc(c1O3)C)C)(C)C
• Title of publication: Synthesis and characterisation of aluminium(iii) imine bis(phenolate) complexes with application for the polymerisation of rac-LA
• Authors of publication: Forder, Thomas R.; Jones, Matthew D.
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 3
• Pages of publication: 1974
• a: 11.552 ± 0.0001 Å
• b: 12.366 ± 0.0001 Å
• c: 22.149 ± 0.0002 Å
• α: 90°
• β: 97.83°
• γ: 90°
• Cell volume: 3134.53 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0475
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No