Information card for entry 1560087

Structure parameters

• Formula: C83 H116 N4 O4 Zn2
• Calculated formula: C83 H116 N4 O4 Zn2
• Title of publication: Make or break: Mg(ii)- and Zn(ii)-catalen complexes for PLA production and recycling of commodity polyesters
• Authors of publication: Payne, Jack; McKeown, Paul; Driscoll, Oliver; Kociok-Köhn, Gabriele; Emanuelsson, Emma A. C.; Jones, Matthew D.
• Journal of publication: Polymer Chemistry
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 1086 - 1096
• a: 9.5822 ± 0.0002 Å
• b: 13.6635 ± 0.0003 Å
• c: 15.4413 ± 0.0003 Å
• α: 98.426 ± 0.002°
• β: 105.508 ± 0.002°
• γ: 99.504 ± 0.002°
• Cell volume: 1882.26 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 0.3 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: 0.0539
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No