Information card for entry 2228004

Structure parameters

• Chemical name: 3,3'-Dimethyl-1,1'-(methylenedi-<i>p</i>-phenylene)diimidazolium bis(hexafluorophosphate)
• Formula: C21 H22 F12 N4 P2
• Calculated formula: C21 H22 F12 N4 P2
• SMILES: n1(C)c[n+](cc1)c1ccc(cc1)Cc1ccc(n2c[n+](cc2)C)cc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: 3,3'-Dimethyl-1,1'-(methylenedi-<i>p</i>-phenylene)diimidazolium bis(hexafluorophosphate)
• Authors of publication: Huang, Kun; Zhang, Ping; Qin, Da-Bin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2202 - o2203
• a: 11.5645 ± 0.0019 Å
• b: 13.69 ± 0.002 Å
• c: 31.188 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4937.6 ± 1.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1371
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes