Information card for entry 4112950

Structure parameters

• Formula: C2 H20 K2 O52 P V2 W10
• Calculated formula: C K2 O53 P W10.041
• Title of publication: 51V Magic Angle Spinning NMR Spectroscopy of Keggin Anions [PVnW12-nO40](3+n)-: Effect of Countercation and Vanadium Substitution on Fine Structure Constants
• Authors of publication: Wenlin Huang; Louis Todaro; Glenn P. A. Yap; Robert Beer; Lynn C. Francesconi; Tatyana Polenova
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 11564 - 11573
• a: 19.057 ± 0.003 Å
• b: 19.057 ± 0.003 Å
• c: 12.505 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3933 ± 1.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No