Information card for entry 2013285

Structure parameters

• Chemical name: N-fluoropyridinium triflate
• Formula: C6 H5 F4 N O3 S
• Calculated formula: C6 H5 F4 N O3 S
• SMILES: [n+]1(ccccc1)F.C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: <i>N</i>-Fluoropyridinium trifluoromethanesulfonate and 1-fluoro-2,4,6-trimethoxy-1,3,5-triazinium hexafluoroantimonate: the first experimental determination of the F—N^+^ bond length involving <i>sp</i>^2^ nitrogen
• Authors of publication: Banks, R. Eric; Besheesh, Mohamed K.; Pritchard, Robin G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 4
• Pages of publication: m141 - m143
• a: 6.027 ± 0.002 Å
• b: 12.901 ± 0.004 Å
• c: 12.49 ± 0.003 Å
• α: 90°
• β: 103.96 ± 0.03°
• γ: 90°
• Cell volume: 942.5 ± 0.5 ų
• Cell temperature: 293 ± 2 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 significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes