Information card for entry 7715014

Structure parameters

• Formula: C81 H104.5 Cu4.5 N15 O112.75 P2 W24
• Calculated formula: C81 H48 Cu4.5 N15 O112.75 P2 W24
• Title of publication: Six polyoxotungstate-based transition metal compounds for electrochemical capacitor application and a comparative analysis of factors affecting capacitances.
• Authors of publication: Peng, Cai-Hong; Li, Guanghua; Li, Ke-Chang; Cui, Xiao-Bing
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 8
• Pages of publication: 3499 - 3510
• a: 35.2928 ± 0.0004 Å
• b: 35.2928 ± 0.0004 Å
• c: 22.6516 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 24434.4 ± 0.9 ų
• Cell temperature: 260 K
• Ambient diffraction temperature: 260 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1511
• Residual factor for significantly intense reflections: 0.0891
• Weighted residual factors for significantly intense reflections: 0.2216
• Weighted residual factors for all reflections included in the refinement: 0.2724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No