Information card for entry 2235232

Structure parameters

• Chemical name: 3,3'-Dicyclopentyl-1,1'-(1,3-phenylenedimethylene)dibenzimidazol-1-ium bis(hexafluorophosphate)
• Formula: C32 H36 F12 N4 P2
• Calculated formula: C32 H36 F12 N4 P2
• SMILES: c1cc(cc(c1)Cn1c2ccccc2[n+](c1)C1CCCC1)Cn1c[n+](c2c1cccc2)C1CCCC1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: 3,3'-Dicyclopentyl-1,1'-(1,3-phenylenedimethylene)dibenzimidazol-1-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: 6
• Pages of publication: o1868
• a: 7.0699 ± 0.0001 Å
• b: 20.4852 ± 0.0003 Å
• c: 22.5416 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3264.66 ± 0.08 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes