Information card for entry 4102925

Structure parameters

• Formula: Fe2 H474 K44 Na10 O640 Se8 W119
• Calculated formula: Fe2 K28.95 Na5.35 O463.05 Se8 W119
• Title of publication: Self-Assembly of a Nanosized, Saddle-Shaped, Solution-Stable Polyoxometalate Anion Built from Pentagonal Building Blocks: [H34W119Se8Fe2O420]54-
• Authors of publication: Jun Yan; Jing Gao; De-Liang Long; Haralampos N. Miras; Leroy Cronin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 11410 - 11411
• a: 24.8548 ± 0.0003 Å
• b: 33.1678 ± 0.0004 Å
• c: 40.1311 ± 0.0004 Å
• α: 94.99 ± 0.002°
• β: 94.485 ± 0.002°
• γ: 109.091 ± 0.002°
• Cell volume: 30944.7 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0915
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1775
• Weighted residual factors for all reflections included in the refinement: 0.1998
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No