Information card for entry 2228531

Structure parameters

• Chemical name: 3,3'-Dimethyl-1,1'-[(1,3-dihydroxypropane-2,2-diyl)dimethylidene]diimidazolium bis(hexafluorophosphate)
• Formula: C13 H22 F12 N4 O2 P2
• Calculated formula: C13 H22 F12 N4 O2 P2
• SMILES: OCC(Cn1c[n+](C)cc1)(CO)Cn1cc[n+](c1)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: 3,3'-Dimethyl-1,1'-[(1,3-dihydroxypropane-2,2-diyl)dimethylidene]diimidazolium bis(hexafluorophosphate)
• Authors of publication: Yuan, Ai-Lin; Wang, Chang-Sheng; Zhuang, Ling-Hua; Wang, Guo-Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3282
• a: 14.622 ± 0.003 Å
• b: 12.504 ± 0.003 Å
• c: 12.165 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2224.2 ± 0.8 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.151
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes