Information card for entry 4348323

Structure parameters

• Formula: C10 H9 F9 N2 S2
• Calculated formula: C10 H9 F9 N2 S2
• SMILES: [S](F)(F)(F)(F)[n]1ccc(cc1)c1cc[nH+]cc1.[F-].S(F)(F)(F)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: 7.339 ± 0.007 Å
• b: 10.783 ± 0.01 Å
• c: 18.641 ± 0.017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1475 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No