Information card for entry 7132716

Structure parameters

• Formula: C20 H38 K16 N2 Na10.5 O218 P7 W39 Zr3
• Calculated formula: C20 H24 K16 N2 Na10.5 O211 P7 W39 Zr3
• Title of publication: A wheel-shaped Zr-substituted phosphotungstate [{Zr(C₂O₄)₂}₃ (PO₄)(P₆W₃₉O₁₅₀)]^39- with tunable proton conduction properties.
• Authors of publication: Yang, Dongsheng; Liu, Lihua; Zhang, Yunfan; Zhang, Miao; Ma, Pengtao; Wang, Jingping; Niu, Jingyang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 22
• Pages of publication: 3043 - 3046
• a: 22.6518 ± 0.0005 Å
• b: 22.6518 ± 0.0005 Å
• c: 75.9558 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 33751.8 ± 1.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 9
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No