Information card for entry 4116616

Structure parameters

• Formula: H96 N12 O134 P5 W30 Y
• Calculated formula: O146 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: 17.5255 ± 0.0001 Å
• b: 21.0554 ± 0.0002 Å
• c: 35.5201 ± 0.0003 Å
• α: 90°
• β: 104.142 ± 0.001°
• γ: 90°
• Cell volume: 12709.9 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0939
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1428
• Weighted residual factors for all reflections included in the refinement: 0.1593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No