Information card for entry 2230033

Structure parameters

• Chemical name: 1,1'-[(1,3-Dihydroxypropane-2,2-diyl)dimethylene]dipyridinium bis(hexafluorophosphate)
• Formula: C15 H20 F12 N2 O2 P2
• Calculated formula: C15 H20 F12 N2 O2 P2
• Title of publication: 1,1'-[(1,3-Dihydroxypropane-2,2-diyl)dimethylene]dipyridinium bis(hexafluorophosphate)
• Authors of publication: Yuan, Ai-lin; Zheng, Chun-ling; Zhuang, Ling-hua; Wang, Chang-sheng; Wang, Guo-wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1104
• a: 11.955 ± 0.002 Å
• b: 13.796 ± 0.003 Å
• c: 12.707 ± 0.003 Å
• α: 90°
• β: 95.17 ± 0.03°
• γ: 90°
• Cell volume: 2087.3 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0877
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes