Information card for entry 7040328

Structure parameters

• Formula: C12 H26 Al4.5 N2 O44 W8.5
• Calculated formula: C12 H6 Al4.5 N2 O44 W8.5
• Title of publication: A highly aluminum-doped β-isomer Keggin-type tungstoaluminate.
• Authors of publication: Han, Zhangang; Zhang, Huixia; Yan, Jinshuang; Zhai, Xueliang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 36
• Pages of publication: 14044 - 14048
• a: 10.005 ± 0.004 Å
• b: 14.757 ± 0.005 Å
• c: 17.197 ± 0.006 Å
• α: 90°
• β: 100.266 ± 0.005°
• γ: 90°
• Cell volume: 2498.4 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No