Information card for entry 2237673

Structure parameters

• Chemical name: 1,3-Bis(6-methylpyridin-2-yl)-1<i>H</i>-imidazol-3-ium hexafluorophosphate
• Formula: C17 H19 F6 N4 P
• Calculated formula: C17 H19 F6 N4 P
• SMILES: [P](F)(F)(F)(F)(F)[F-].n1(c[n+](Cc2nc(C)ccc2)cc1)Cc1nc(ccc1)C
• Title of publication: 1,3-Bis(6-methylpyridin-2-yl)-1<i>H</i>-imidazol-3-ium hexafluorophosphate
• Authors of publication: Bae, Hoyeon; Yoon, Minyoung; Sun, Ho-Jung; Lee, Dong-Heon; Park, Gyungse
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: o549
• a: 6.3839 ± 0.0003 Å
• b: 12.0353 ± 0.0005 Å
• c: 12.8006 ± 0.0005 Å
• α: 108.039 ± 0.002°
• β: 96.091 ± 0.002°
• γ: 100.593 ± 0.002°
• Cell volume: 905.12 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes