Information card for entry 2228121

Structure parameters

• Chemical name: 4,4'-(ethane-1,2-diyl)dipyridinium bis(2-hydroxybenzoate)
• Formula: C26 H24 N2 O6
• Calculated formula: C26 H24 N2 O6
• SMILES: [nH+]1ccc(cc1)CCc1cc[nH+]cc1.C(=O)([O-])c1ccccc1O.C(=O)(c1ccccc1O)[O-]
• Title of publication: 4,4'-(Ethane-1,2-diyl)dipyridinium bis(2-hydroxybenzoate)
• Authors of publication: Lush, Shie Fu; Shen, Fwu Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2701
• a: 8.622 ± 0.003 Å
• b: 6.867 ± 0.002 Å
• c: 19.566 ± 0.006 Å
• α: 90°
• β: 101.324 ± 0.006°
• γ: 90°
• Cell volume: 1135.9 ± 0.6 ų
• Cell temperature: 297 K
• Ambient diffraction temperature: 297 K
• Number of distinct elements: 4
• 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: 0.0639
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes