Information card for entry 7135164

Structure parameters

• Formula: C316 H654 N34 O236 P16 V52
• Calculated formula: C219.64 H358.92 N12 O208 P16 V52
• Title of publication: Diphosphonate Functionalization of a Polyoxometalate-Organic Cage Enhances Proton Conductivity
• Authors of publication: Han, Shicheng; Liu, Fangcheng; Fu, Gang; Guo, Ji; Lin, Jiaheng; Wu, Hongyu; Mu, Chengyi; Fang, Xikui
• Journal of publication: Chemical Communications
• Year of publication: 2025
• a: 39.393 ± 0.004 Å
• b: 29.71 ± 0.003 Å
• c: 48.245 ± 0.005 Å
• α: 90°
• β: 103.779 ± 0.003°
• γ: 90°
• Cell volume: 54839 ± 10 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1499
• Residual factor for significantly intense reflections: 0.093
• Weighted residual factors for significantly intense reflections: 0.2664
• Weighted residual factors for all reflections included in the refinement: 0.3211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No