Information card for entry 4348318

Structure parameters

• Formula: C6 H8 F5 N S
• Calculated formula: C6 H8 F5 N S
• SMILES: S(F)(F)(F)F.[F-].[nH+]1ccc(C)cc1
• 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: 7.261 ± 0.016 Å
• b: 8.419 ± 0.018 Å
• c: 8.705 ± 0.019 Å
• α: 61.9 ± 0.02°
• β: 82.15 ± 0.02°
• γ: 75.28 ± 0.02°
• Cell volume: 453.9 ± 1.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No