Information card for entry 1560090

Structure parameters

• Formula: C30 H36 Br2 N2 O2 Zn
• Calculated formula: C30 H36 Br2 N2 O2 Zn
• 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: 10.0556 ± 0.0003 Å
• b: 14.2825 ± 0.0003 Å
• c: 20.688 ± 0.0004 Å
• α: 90°
• β: 95.646 ± 0.002°
• γ: 90°
• Cell volume: 2956.78 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No