Information card for entry 2013388

Structure parameters

• Formula: As4 H95 N9 O95 W17 Zr2
• Calculated formula: As4 N9 O95 W17 Zr2
• Title of publication: A novel zirconium polyoxometalate compound: (NH~4~)~9~[Zr~2~(μ-OH)(H~2~O)~2~(AsOH)~2~(AsW~7~O~28~)(AsW~10~O~36~)]·26H~2~O
• Authors of publication: Gaunt, Andrew J.; May, Iain; Collison, David; Helliwell, Madeleine
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 7
• Pages of publication: i65 - i66
• a: 32.2 ± 0.004 Å
• b: 15.993 ± 0.002 Å
• c: 18.415 ± 0.002 Å
• α: 90°
• β: 105.228 ± 0.002°
• γ: 90°
• Cell volume: 9150.3 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes