Information card for entry 2238717

Structure parameters

• Chemical name: 4,4'-Oxybis(2,6-dimethylpyridinium) bis(trifluoromethanesulfonate)
• Formula: C16 H18 F6 N2 O7 S2
• Calculated formula: C16 H18 F6 N2 O7 S2
• Title of publication: 4,4'-Oxybis(2,6-dimethylpyridinium) bis(trifluoromethanesulfonate)
• Authors of publication: Stubbs, Amanda W.; Golen, James A.; Rheingold, Arnold L.; Manke, David R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: o1633 - o1634
• a: 12.7397 ± 0.0018 Å
• b: 11.361 ± 0.0016 Å
• c: 15.611 ± 0.002 Å
• α: 90°
• β: 101.405 ± 0.004°
• γ: 90°
• Cell volume: 2214.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0621
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No