Information card for entry 2233093

Structure parameters

• Chemical name: 2',6'-Bis(4-carboxyphenyl)-4,4'-bipyridin-1-ium nitrate hydrate
• Formula: C24 H17.5 N3 O7.25
• Calculated formula: C24 H17.5 N3 O7.25
• Title of publication: 2',6'-Bis(4-carboxyphenyl)-4,4'-bipyridin-1-ium nitrate 0.25-hydrate
• Authors of publication: Li, Yaping; Zang, Hu; Su, Guanfang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o43
• a: 13.6978 ± 0.0011 Å
• b: 16.0688 ± 0.0012 Å
• c: 9.6354 ± 0.0008 Å
• α: 90°
• β: 92.696 ± 0.001°
• γ: 90°
• Cell volume: 2118.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0861
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes