Information card for entry 7040141

Structure parameters

• Formula: C19 H16 Al Cl2 N O
• Calculated formula: C19 H16 Al Cl2 N O
• SMILES: Clc1cc2c(O[Al]([N](=C2)c2cccc3c2cccc3)(C)C)c(Cl)c1
• Title of publication: Monomeric and dimeric Al(iii) complexes for the production of polylactide.
• Authors of publication: Kirk, Sarah M.; Quilter, Helena C.; Buchard, Antoine; Thomas, Lynne H.; Kociok-Kohn, Gabriele; Jones, Matthew D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 35
• Pages of publication: 13846 - 13852
• a: 7.149 ± 0.0001 Å
• b: 22.319 ± 0.0003 Å
• c: 22.695 ± 0.0004 Å
• α: 90°
• β: 97.634 ± 0.001°
• γ: 90°
• Cell volume: 3589.09 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.1613
• Residual factor for significantly intense reflections: 0.141
• Weighted residual factors for significantly intense reflections: 0.3471
• Weighted residual factors for all reflections included in the refinement: 0.3559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No