Information card for entry 4519051

Structure parameters

• Formula: C51 H61 Al2 Cl3 K2 N4 O16
• Calculated formula: C51 H61 Al2 Cl3 K2 N4 O16
• 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: 12.4551 ± 0.0006 Å
• b: 15.8089 ± 0.001 Å
• c: 16.1748 ± 0.0008 Å
• α: 65.273 ± 0.005°
• β: 82.478 ± 0.004°
• γ: 76.607 ± 0.005°
• Cell volume: 2812.1 ± 0.3 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: 0.1083
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No