Information card for entry 4519050

Structure parameters

• Formula: C27 H34 Al Cl4 N2 Na O8
• Calculated formula: C27 H34 Al Cl4 N2 Na O8
• Title of publication: Catalytic Synergy Using Al(III) and Group 1 Metals to Accelerate Epoxide and Anhydride Ring-Opening Copolymerizations
• Authors of publication: Diment, Wilfred T.; Gregory, Georgina L.; Kerr, Ryan W. F.; Phanopoulos, Andreas; Buchard, Antoine; Williams, Charlotte K.
• Journal of publication: ACS Catalysis
• Year of publication: 2021
• Pages of publication: 12532 - 12542
• a: 10.796 ± 0.0005 Å
• b: 11.9409 ± 0.0008 Å
• c: 14.6196 ± 0.0007 Å
• α: 66.034 ± 0.005°
• β: 84.098 ± 0.004°
• γ: 69.361 ± 0.005°
• Cell volume: 1609.86 ± 0.17 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No