Information card for entry 7232843

Structure parameters

• Formula: C9 H18 F6 N4 O4 S2
• Calculated formula: C9 H18 F6 N4 O4 S2
• Title of publication: Organic salts utilising the hexamethylguanidinium cation: the influence of the anion on the structural, physical and thermal properties
• Authors of publication: Yunis, Ruhamah; Hollenkamp, Anthony F.; Forsyth, Craig; Doherty, Cara M.; Al-Masri, Danah; Pringle, Jennifer M.
• Journal of publication: Physical Chemistry Chemical Physics
• Year of publication: 2019
• a: 13.715 ± 0.0003 Å
• b: 8.6718 ± 0.0002 Å
• c: 15.6538 ± 0.0004 Å
• α: 90°
• β: 102.306 ± 0.002°
• γ: 90°
• Cell volume: 1818.99 ± 0.08 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No