Information card for entry 4116614

Structure parameters

• Formula: H69 K5 O141 P5 W30 Y
• Calculated formula: K5.1 O141 P5 W30 Y
• Title of publication: Slow Proton Exchange in Aqueous Solution. Consequences of Protonation and Hydration within the Central Cavity of Preyssler Anion Derivatives, [|M(H2O)|@P5W30O110]n-
• Authors of publication: Kee-Chan Kim; Michael T. Pope; Gennaro J. Gama; Michael H. Dickman
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Pages of publication: 11164 - 11170
• a: 17.6012 ± 0.0008 Å
• b: 28.1222 ± 0.0013 Å
• c: 24.6158 ± 0.0011 Å
• α: 90°
• β: 109.311 ± 0.001°
• γ: 90°
• Cell volume: 11498.9 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.1041
• Residual factor for significantly intense reflections: 0.0843
• Weighted residual factors for significantly intense reflections: 0.1719
• Weighted residual factors for all reflections included in the refinement: 0.1837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.266
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No