Information card for entry 4324295

Structure parameters

• Common name: Tungsten(VI)-oxide-bis(sulfate)
• Formula: O9 S2 W
• Calculated formula: O9 S2 W
• SMILES: [W]=O.S(=O)(=O)([O-])[O-].S(=O)(=O)([O-])[O-]
• Title of publication: Sulfates of the Refractory Metals: Crystal Structure and Thermal Behavior of Nb2O2(SO4)3, MoO2(SO4), WO(SO4)2, and Two Modifications of Re2O5(SO4)2
• Authors of publication: Ulf Betke; Mathias S. Wickleder
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 858 - 872
• a: 7.453 ± 0.0011 Å
• b: 11.8232 ± 0.0008 Å
• c: 7.8808 ± 0.001 Å
• α: 90°
• β: 107.924 ± 0.015°
• γ: 90°
• Cell volume: 660.74 ± 0.15 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0477
• Weighted residual factors for all reflections included in the refinement: 0.0556
• Goodness-of-fit parameter for all reflections included in the refinement: 0.844
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No