Information card for entry 4080382

Structure parameters

• Formula: C74 H76 Al2 N2 O4 Si2
• Calculated formula: C74 H76 Al2 N2 O4 Si2
• SMILES: C[Al]12([N](Cc3c(cc(cc3C)C)C)=Cc3cc(cc(c3O1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1)C)[OH][Al]1(C)([N](Cc3c(cc(cc3C)C)C)=Cc3cc(cc(c3O1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1)C)[OH]2
• Title of publication: {Phenoxy-imine}aluminum versus -indium Complexes for the Immortal ROP of Lactide: Different Stereocontrol, Different Mechanisms
• Authors of publication: Normand, Mickael; Dorcet, Vincent; Kirillov, Evgeny; Carpentier, Jean-François
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 6
• Pages of publication: 1694
• a: 14.5801 ± 0.0007 Å
• b: 16.4131 ± 0.0008 Å
• c: 32.5737 ± 0.0016 Å
• α: 90°
• β: 98.132 ± 0.002°
• γ: 90°
• Cell volume: 7716.7 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0898
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for significantly intense reflections: 0.2042
• Weighted residual factors for all reflections included in the refinement: 0.2112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No