Information card for entry 1560092

Structure parameters

• Formula: C27 H36 Cl2 Mg2 N2 O2
• Calculated formula: C27 H36 Cl2 Mg2 N2 O2
• 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: 10.872 ± 0.0012 Å
• b: 11.0298 ± 0.001 Å
• c: 13.0224 ± 0.0012 Å
• α: 112.876 ± 0.009°
• β: 100.644 ± 0.008°
• γ: 93.112 ± 0.008°
• Cell volume: 1400.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1275
• Residual factor for significantly intense reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.1801
• Weighted residual factors for all reflections included in the refinement: 0.2117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No