Information card for entry 4331968

Structure parameters

• Formula: C14 H44 N2 O22 S3 W5 Zr
• Calculated formula: C14 N2 O22 S3 W5 Zr
• Title of publication: Zirconium-Substituted Isopolytungstates: Structural Models for Zirconia-Supported Tungsten Catalysts
• Authors of publication: Carabineiro, Hugo; Villanneau, Richard; Carrier, Xavier; Herson, Patrick; Lemos, Francisco; Ramôa Ribeiro, Fernando; Proust, Anna; Che, Michel
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 1915 - 1923
• a: 11.0093 ± 0.0007 Å
• b: 21.946 ± 0.002 Å
• c: 15.1748 ± 0.0018 Å
• α: 90°
• β: 91.245 ± 0.008°
• γ: 90°
• Cell volume: 3665.5 ± 0.6 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 7
• 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: 0.0907
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for all reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.0402
• Weighted residual factors for all reflections included in the refinement: 0.0402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No