Information card for entry 1570228

Structure parameters

• Formula: Co5 H82 Na12 O109 W19
• Calculated formula: Co5 Na12 O109 W19
• 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: 13.063 ± 0.011 Å
• b: 17.764 ± 0.015 Å
• c: 21.118 ± 0.018 Å
• α: 90°
• β: 93.152 ± 0.009°
• γ: 90°
• Cell volume: 4893 ± 7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1152
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No