Information card for entry 1569205

Structure parameters

• Formula: C24 H26 N6 O10 Zn2
• Calculated formula: C24 H26 N6 O10 Zn2
• SMILES: [N]12CCC[N]3[Zn]41([O]1c5c(cc(cc5C=[N]5CCC[N]6=Cc7cc(cc(c7[O]4[Zn]156ON(=O)=O)C=2)OC)OC)C=3)ON(=O)=O
• Title of publication: PET recycling under mild conditions <i>via</i> substituent-modulated intramolecular hydrolysis.
• Authors of publication: Zhang, Shengbo; Xue, Yingying; Wu, Yanfen; Zhang, Yu-Xiao; Tan, Ting; Niu, Zhiqiang
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 24
• Pages of publication: 6558 - 6563
• a: 7.9192 ± 0.0003 Å
• b: 9.0455 ± 0.0003 Å
• c: 17.8728 ± 0.0006 Å
• α: 90°
• β: 92.107 ± 0.003°
• γ: 90°
• Cell volume: 1279.42 ± 0.08 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No