Information card for entry 4002890

Structure parameters

• Formula: Cs F4 H5 I2 O6
• Calculated formula: Cs F4 H5 I2 O6
• SMILES: F[I](F)(=O)=O.[OH2][H+][OH2].[Cs+].F[I](F)(=O)=O
• Title of publication: Functional Materials Design via Structural Regulation Originated from Ions Introduction: A Study Case in Cesium Iodate System
• Authors of publication: Zhang, Min; Hu, Cong; Abudouwufu, Tushagu; Yang, Zhihua; Pan, Shilie
• Journal of publication: Chemistry of Materials
• Year of publication: 2018
• Journal volume: 30
• Journal issue: 3
• Pages of publication: 1136
• a: 4.476 ± 0.004 Å
• b: 7.968 ± 0.008 Å
• c: 13.79 ± 0.013 Å
• α: 90°
• β: 90.11 ± 0.011°
• γ: 90°
• Cell volume: 491.8 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0744
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No