Information card for entry 1570227

Structure parameters

• Formula: Co4 Fe2 H75 Na14 O105.5 W18
• Calculated formula: Co4 Fe2 H4 Na14 O105.5 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: 12.2859 ± 0.0006 Å
• b: 13.663 ± 0.0006 Å
• c: 14.9308 ± 0.0006 Å
• α: 99.378 ± 0.001°
• β: 104.187 ± 0.001°
• γ: 101.318 ± 0.002°
• Cell volume: 2323.17 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No