Information card for entry 4078671

Structure parameters

• Formula: C22 H17 Al Cl2 I2 N2 O2
• Calculated formula: C22 H17 Al Cl2 I2 N2 O2
• SMILES: [Al]12(Oc3c(I)cc(Cl)c4ccc([n]1c34)C)(Oc1c(I)cc(Cl)c3ccc([n]2c13)C)CC
• Title of publication: Bis(8-quinolinolato)aluminum ethyl complexes: Iso-Selective Initiators forrac-Lactide Polymerization
• Authors of publication: Bakewell, Clare; Platel, Rachel H.; Cary, Samantha K.; Hubbard, Steven M.; Roaf, Joshua M.; Levine, Alex C.; White, Andrew J. P.; Long, Nicholas J.; Haaf, Michael; Williams, Charlotte K.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 13
• Pages of publication: 4729
• a: 10.3112 ± 0.0003 Å
• b: 36.574 ± 0.0009 Å
• c: 13.3312 ± 0.0004 Å
• α: 90°
• β: 107.432 ± 0.003°
• γ: 90°
• Cell volume: 4796.6 ± 0.2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1196
• Residual factor for significantly intense reflections: 0.0985
• Weighted residual factors for significantly intense reflections: 0.1947
• Weighted residual factors for all reflections included in the refinement: 0.2015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No