Information card for entry 7220232

Structure parameters

• Formula: C11 H18 F6 N4 O4 S2
• Calculated formula: C11 H18 F6 N4 O4 S2
• SMILES: S(=O)(=O)(N=S([O-])(=O)C(F)(F)F)C(F)(F)F.C1(=C(C1=[N+](C)C)N(C)C)N(C)C
• Title of publication: Synthesis and physical properties of tris(dialkylamino)cyclopropenium bistriflamide ionic liquids
• Authors of publication: Walst, Kelvin J.; Yunis, Ruhamah; Bayley, Paul; MacFarlane, Doug; Ward, Callum J.; Wang, Ruomeng; Curnow, Owen John
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 20.8556 ± 0.0005 Å
• b: 14.7302 ± 0.0004 Å
• c: 18.677 ± 0.0005 Å
• α: 90°
• β: 101.824 ± 0.002°
• γ: 90°
• Cell volume: 5616 ± 0.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No