Information card for entry 4107820

Structure parameters

• Formula: H124 Hf6 K18 O185 Si3 W30
• Calculated formula: Hf6 K11.15 O162.55 Si3 W30
• Title of publication: 6-Peroxo-6-Zirconium Crown and Its Hafnium Analogue Embedded in a Triangular Polyanion: [M6(O2)6(OH)6(γ-SiW10O36)3]18- (M = Zr, Hf)
• Authors of publication: Bassem S. Bassil; Sib Sankar Mal; Michael H. Dickman; Ulrich Kortz; Holger Oelrich; Lorenz Walder
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 6696 - 6697
• a: 52.2945 ± 0.0017 Å
• b: 17.6832 ± 0.0004 Å
• c: 36.3549 ± 0.0009 Å
• α: 90°
• β: 93.667 ± 0.002°
• γ: 90°
• Cell volume: 33549.8 ± 1.6 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: 0.1133
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1618
• Weighted residual factors for all reflections included in the refinement: 0.1998
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No