Information card for entry 7241188

Structure parameters

• Formula: C23 H12 I0.52 O14 Zn3
• Calculated formula: C23 H12 I0.5231 O14 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: 10.2531 ± 0.0002 Å
• b: 12.2578 ± 0.0003 Å
• c: 15.779 ± 0.0004 Å
• α: 101.524 ± 0.002°
• β: 92.146 ± 0.002°
• γ: 102.223 ± 0.002°
• Cell volume: 1892.49 ± 0.08 ų
• Cell temperature: 105 ± 3 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No