Information card for entry 4303744

Structure parameters

• Formula: C2 H3 F4 N S W
• Calculated formula: C2 H3 F4 N S W
• Title of publication: Syntheses, Characterization, and Computational Study of WSF4 and WSF4.CH3CN
• Authors of publication: Jared Nieboer; William Hillary; Xin Yu; Hélène P. A. Mercier; Michael Gerken
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 11251 - 11258
• a: 10.995 ± 0.003 Å
• b: 7.874 ± 0.002 Å
• c: 8.046 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 696.6 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0127
• Residual factor for significantly intense reflections: 0.0123
• Weighted residual factors for significantly intense reflections: 0.0301
• Weighted residual factors for all reflections included in the refinement: 0.0303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No