Information card for entry 4348316

Structure parameters

• Formula: C5 H6 F5 N S
• Calculated formula: C5 H6 F5 N S
• SMILES: S(F)(F)(F)F.[nH+]1ccccc1.[F-]
• Title of publication: Interactions between SF4 and Fluoride: A Crystallographic Study of Solvolysis Products of SF4·Nitrogen-Base Adducts by HF.
• Authors of publication: Goettel, James T.; Kostiuk, Nathan; Gerken, Michael
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 14
• Pages of publication: 7126 - 7134
• a: 13.919 ± 0.004 Å
• b: 13.681 ± 0.004 Å
• c: 17.101 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3256.5 ± 1.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No