Information card for entry 7053870

Structure parameters

• Formula: H72 Mn5 O76 W12
• Calculated formula: H12 Mn5 O76 W12
• Title of publication: Manganese oxide as a water-oxidizing catalyst: from the bulk to Ångström-scale
• Authors of publication: Najafpour, Mohammad Mahdi; Abbasi Isaloo, Mohsen; Abasi, Mahnaz; Hołyńska, Małgorzata
• Journal of publication: New Journal of Chemistry
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 2
• Pages of publication: 852
• a: 11.35 ± 0.003 Å
• b: 12.153 ± 0.003 Å
• c: 14.391 ± 0.004 Å
• α: 65.37 ± 0.03°
• β: 66.76 ± 0.03°
• γ: 80.51 ± 0.03°
• Cell volume: 1658 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No