Information card for entry 7025800

Structure parameters

• Formula: C48 H51 Al2 N3 S3
• Calculated formula: C48 H51 Al2 N3 S3
• SMILES: [Al]12([N]3(Cc4c(Sc5ccccc5)cccc4)[Al]([N]1([C@@H]1CC(N2Cc2c(Sc4ccccc4)cccc2)C[C@H]3C1)Cc1c(Sc2ccccc2)cccc1)(C)C)C
• Title of publication: Aluminium complexes bearing functionalized trisamido ligands and their reactivity in the polymerization of epsilon-caprolactone and rac-lactide.
• Authors of publication: Thibault, Marie-Hélène; Fontaine, Frédéric-Georges
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 24
• Pages of publication: 5688 - 5697
• a: 13.1455 ± 0.0011 Å
• b: 16.7733 ± 0.0014 Å
• c: 20.6807 ± 0.0017 Å
• α: 100.937 ± 0.001°
• β: 99.373 ± 0.001°
• γ: 94.655 ± 0.001°
• Cell volume: 4387.7 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No