Information card for entry 2224339

Structure parameters

• Chemical name: 1-{2-[(2,4-Dichlorobenzylidene)amino]ethyl}-3-methylimidazolium hexafluorophosphate
• Formula: C13 H14 Cl2 F6 N3 P
• Calculated formula: C13 H14 Cl2 F6 N3 P
• SMILES: c1(c(cc(cc1)Cl)Cl)/C=N/CCn1c[n+](cc1)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: 1-{2-[(2,4-Dichlorobenzylidene)amino]ethyl}-3-methylimidazolium hexafluorophosphate
• Authors of publication: Liu, Jie; Li, Bin; Li, Yi-Qun; Zheng, Wen-Jie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o2972
• a: 8.3465 ± 0.0013 Å
• b: 10.1419 ± 0.0016 Å
• c: 11.031 ± 0.0017 Å
• α: 78.899 ± 0.002°
• β: 76.523 ± 0.002°
• γ: 67.834 ± 0.002°
• Cell volume: 835.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes