Information card for entry 4301486

Structure parameters

• Formula: H112 K14 Mn14 Na17 O220 P8 W36
• Calculated formula: K14 Mn14 Na13 O194 P8 W36
• Title of publication: Mixed-Valent {Mn14} Aggregate Encapsulated by the Inorganic Polyoxometalate Shell: [MnIII13MnIIO12(PO4)4(PW9O34)4]31-
• Authors of publication: Qiong Wu; Yang-Guang Li; Yong-Hui Wang; En-Bo Wang; Zhi-Ming Zhang; Rodolphe Clérac
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 1606 - 1612
• a: 36.341 ± 0.007 Å
• b: 18.325 ± 0.004 Å
• c: 36.668 ± 0.007 Å
• α: 90°
• β: 119.24 ± 0.03°
• γ: 90°
• Cell volume: 21308 ± 10 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1029
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No