Information card for entry 1569212

Structure parameters

• Formula: C25 H28 N6 O9 Zn2
• Calculated formula: C25 H28 N6 O9 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: 19.9701 ± 0.0003 Å
• b: 17.0535 ± 0.0003 Å
• c: 8.023 ± 0.0002 Å
• α: 90°
• β: 97.808 ± 0.002°
• γ: 90°
• Cell volume: 2706.98 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0512
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No