Information card for entry 7220418

Structure parameters

• Common name: TEMPO bistriflimide
• Chemical name: 2,2,6,6-tetramethylpiperidin-1-yl-oxonium bis(trifluoromethanesulfonyl)amide
• Formula: C11 H18 F6 N2 O5 S2
• Calculated formula: C11 H18 F6 N2 O5 S2
• SMILES: S(=O)(=O)(N=S([O-])(=O)C(F)(F)F)C(F)(F)F.O=[N+]1C(CCCC1(C)C)(C)C
• Title of publication: Electrical conductivity in two mixed-valence liquids.
• Authors of publication: Yao, Wenzhi; Kelley, Steven P.; Rogers, Robin D.; Vaid, Thomas P.
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 21
• Pages of publication: 14107 - 14114
• a: 14.282 ± 0.004 Å
• b: 17.055 ± 0.005 Å
• c: 17.128 ± 0.005 Å
• α: 60.5 ± 0.008°
• β: 82.665 ± 0.009°
• γ: 89.096 ± 0.009°
• Cell volume: 3596.1 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1101
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No