Information card for entry 7241187

Structure parameters

• Formula: C29 H26 N2 O16 Zn3
• Calculated formula: C29 H26 N2 O16 Zn3
• Title of publication: Crystal engineering of coordination-polymer-based iodine absorbents using π-electron-rich polycarboxylate aryl ether ligand
• Authors of publication: Chen, Junling; Li, Bo; Shi, Zhen-Zhen; He, Cheng; Duan, Chunying; Zhang, Tiexin; Wang, Liya
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 12.8756 ± 0.0006 Å
• b: 17.0258 ± 0.0007 Å
• c: 14.8329 ± 0.0008 Å
• α: 90°
• β: 101.033 ± 0.005°
• γ: 90°
• Cell volume: 3191.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 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: 0.0456
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No