Information card for entry 2222151

Structure parameters

• Chemical name: 1-{2-[(4-Hydroxy-3-methoxybenzylidene)amino]ethyl}-3-methylimidazolium hexafluorophosphate
• Formula: C14 H18 F6 N3 O2 P
• Calculated formula: C14 H18 F6 N3 O2 P
• SMILES: c1(cc(c(cc1)O)OC)/C=N/CCn1c[n+](cc1)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: 1-{2-[(4-Hydroxy-3-methoxybenzylidene)amino]ethyl}-3-methylimidazolium hexafluorophosphate
• Authors of publication: Li, Bin; Li, Yi-Qun; Liu, Jie; Zheng, Wen-Jie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1427
• a: 7.5285 ± 0.001 Å
• b: 12.685 ± 0.0016 Å
• c: 17.827 ± 0.002 Å
• α: 90°
• β: 96.245 ± 0.002°
• γ: 90°
• Cell volume: 1692.4 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0453
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes