Information card for entry 2240182

Structure parameters

• Chemical name: 1-Benzyl-3-methyl-1<i>H</i>-imidazolium hexafluoridophosphate
• Formula: C11 H13 F6 N2 P
• Calculated formula: C11 H13 F6 N2 P
• SMILES: n1(c[n+](cc1)Cc1ccccc1)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Crystal structure of 1-benzyl-3-methyl-1<i>H</i>-imidazolium hexafluoridophosphate
• Authors of publication: Hillesheim, Patrick C.; Scipione, Kent A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 12
• Pages of publication: o1248 - o1249
• a: 10.4989 ± 0.0003 Å
• b: 11.2755 ± 0.0003 Å
• c: 11.9769 ± 0.0003 Å
• α: 90°
• β: 109.926 ± 0.001°
• γ: 90°
• Cell volume: 1332.95 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.03 K
• Number of distinct elements: 5
• 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: 0.0368
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes