Information card for entry 1557408

Structure parameters

• Formula: C30 H30 N2 O2 Zn2
• Calculated formula: C30 H30 N2 O2 Zn2
• SMILES: C(C)[Zn]12[O](c3c(cccc3)C=[N]1c1ccccc1)[Zn]1([O]2c2c(cccc2)C=[N]1c1ccccc1)CC
• Title of publication: Mono- and dimeric zinc(ii) complexes for PLA production and degradation into methyl lactate ‒ a chemical recycling method
• Authors of publication: Payne, Jack; McKeown, Paul; Mahon, Mary F.; Emanuelsson, Emma A. C.; Jones, Matthew D.
• Journal of publication: Polymer Chemistry
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 13
• Pages of publication: 2381 - 2389
• a: 9.4634 ± 0.0002 Å
• b: 12.7656 ± 0.0002 Å
• c: 11.441 ± 0.0002 Å
• α: 90°
• β: 105.049 ± 0.002°
• γ: 90°
• Cell volume: 1334.74 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0388
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No