Information card for entry 7040143

Structure parameters

• Formula: C58 H76 Al2 N2 O2
• Calculated formula: C58 H76 Al2 N2 O2
• SMILES: C[Al]1([N](=Cc2c(c(cc(c2)C(C)(C)C)C(C)(C)C)O1)c1cccc2c1cccc2[N]1[Al](C)(C)Oc2c(cc(cc2C=1)C(C)(C)C)C(C)(C)C)C.c1(C)ccccc1.c1(ccccc1)C
• 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: 14.165 ± 0.0003 Å
• b: 13.07 ± 0.0003 Å
• c: 14.726 ± 0.0004 Å
• α: 90°
• β: 101.745 ± 0.001°
• γ: 90°
• Cell volume: 2669.24 ± 0.11 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/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0869
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.134
• Weighted residual factors for all reflections included in the refinement: 0.1518
• 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