Information card for entry 7719850

Structure parameters

• Formula: C2 H4 F2 K2 O7 P2 Zr
• Calculated formula: C2 H4 F2 K2 O7 P2 Zr
• Title of publication: Syntheses, crystal structures, and proton conduction properties of two zirconium fluorophosphonates
• Authors of publication: Liu, Shu-Zhen; Zhao, Ying-Ying; Ren, Yu-Wei; Chen, Ziyuan; Yang, Lu; Chen, Zhi-Hua; Wei, Zhongxin; Sun, Hai-Yan; Feng, Mei-Ling; Huang, Xiao-Ying
• Journal of publication: Dalton Transactions
• Year of publication: 2025
• a: 7.9194 ± 0.0003 Å
• b: 10.1787 ± 0.0003 Å
• c: 13.1697 ± 0.0004 Å
• α: 90°
• β: 101.289 ± 0.003°
• γ: 90°
• Cell volume: 1041.06 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0298
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0509
• Weighted residual factors for all reflections included in the refinement: 0.0532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No