Information card for entry 2235547

Structure parameters

• Chemical name: 3,3'-Di-<i>n</i>-propyl-1,1'-(1,3-phenylenedimethylene)di(1<i>H</i>- imidazol-3-ium) bis(hexafluorophosphate)
• Formula: C20 H28 F12 N4 P2
• Calculated formula: C20 H28 F12 N4 P2
• SMILES: [P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].n1(c[n+](cc1)Cc1cccc(c1)Cn1cc[n+](c1)CCC)CCC
• Title of publication: 3,3'-Di-<i>n</i>-propyl-1,1'-(1,3-phenylenedimethylene)di(1<i>H</i>-imidazol-3-ium) bis(hexafluorophosphate)
• Authors of publication: Haque, Rosenani A.; Nasri, S. Fatimah; Rosli, Mohd Mustaqim; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2153
• a: 7.2623 ± 0.0002 Å
• b: 11.3926 ± 0.0003 Å
• c: 15.9191 ± 0.0004 Å
• α: 86.157 ± 0.001°
• β: 80.917 ± 0.002°
• γ: 88.946 ± 0.002°
• Cell volume: 1297.61 ± 0.06 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 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: 0.0777
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes