Information card for entry 2225709

Structure parameters

• Chemical name: 3,3'-Di-<i>n</i>-butyl-1,1'-(<i>p</i>-phenylenedimethylene)diimidazolium bis(hexafluorophosphate)
• Formula: C22 H32 F12 N4 P2
• Calculated formula: C22 H32 F12 N4 P2
• SMILES: c1n(CCCC)c[n+](Cc2ccc(cc2)C[n+]2cn(cc2)CCCC)c1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: 3,3'-Di-<i>n</i>-butyl-1,1'-(<i>p</i>-phenylenedimethylene)diimidazolium bis(hexafluorophosphate)
• Authors of publication: Haque, Rosenani A.; Washeel, Abbas; Nasri, S. Fatimah; Yeap, Chin Sing; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o824 - o825
• a: 8.9802 ± 0.0005 Å
• b: 17.8421 ± 0.001 Å
• c: 9.3637 ± 0.0005 Å
• α: 90°
• β: 113.233 ± 0.001°
• γ: 90°
• Cell volume: 1378.64 ± 0.13 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 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: 0.0444
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1206
• 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