Information card for entry 1569206

Structure parameters

• Formula: C22 H22 N6 O8 Zn2
• Calculated formula: C22 H22 N6 O8 Zn2
• 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: 9.0073 ± 0.00005 Å
• b: 13.58036 ± 0.00007 Å
• c: 19.66015 ± 0.0001 Å
• α: 90°
• β: 99.5336 ± 0.0005°
• γ: 90°
• Cell volume: 2371.66 ± 0.02 ų
• Cell temperature: 300.51 ± 0.1 K
• Ambient diffraction temperature: 300.51 ± 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: 0.0274
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No