Information card for entry 1570226

Structure parameters

• Formula: Co4 Fe2 H92 Na14 O114 W18
• Calculated formula: Co4 Fe2 Na14 O114 W18
• Title of publication: Accelerating water oxidation - a mixed Co/Fe polyoxometalate with improved turnover characteristics.
• Authors of publication: Soriano-López, Joaquín; Steuber, Friedrich W.; Mulahmetović, Muhamed; Besora, Maria; Clemente-Juan, Juan Modesto; O'Doherty, Mariah; Zhu, Nian-Yong; Hill, Craig L.; Coronado, Eugenio; Poblet, Josep M.; Schmitt, Wolfgang
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 47
• Pages of publication: 13722 - 13733
• a: 21.063 ± 0.002 Å
• b: 26.187 ± 0.002 Å
• c: 17.8488 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9845 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0819
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.199
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No