Information card for entry 4348324

Structure parameters

• Formula: C10 H10 F18 N2 S4
• Calculated formula: C10 H10 F18 N2 S4
• SMILES: c1cc(cc[nH+]1)c1cc[nH+]cc1.FS(F)(F)F.FS(F)(F)F.[F-].FS(F)(F)F.FS(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: 16.53 ± 0.013 Å
• b: 16.53 ± 0.013 Å
• c: 8.322 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2274 ± 3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No