Information card for entry 2228556

Structure parameters

• Chemical name: 2,2'-[<i>p</i>-Phenylenebis(methylideneazanediyl)]dipyridinium bis(hydrogensulfate) dihydrate
• Formula: C18 H26 N4 O10 S2
• Calculated formula: C18 H26 N4 O10 S2
• SMILES: c1cc(CNc2cccc[nH+]2)ccc1CNc1cccc[nH+]1.O=S(=O)([O-])O.O.O=S(=O)(O)[O-].O
• Title of publication: 2,2'-[<i>p</i>-Phenylenebis(methylideneazanediyl)]dipyridinium bis(hydrogensulfate) dihydrate
• Authors of publication: Gao, Shan; Qi, Xiao-Juan; Kong, Li-Li; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3300
• a: 7.1718 ± 0.0005 Å
• b: 9.301 ± 0.0007 Å
• c: 9.5113 ± 0.0005 Å
• α: 97.648 ± 0.002°
• β: 92.34 ± 0.002°
• γ: 114.005 ± 0.002°
• Cell volume: 571.25 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0833
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes