Information card for entry 2311520

Structure parameters

• Chemical name: Bis(2-carboxypyridinium) chloranilate dihydrate‒bis(pyridinium-2-carboxylate) chloranilic acid dihydrate (1/1)
• Formula: C18 H16 Cl2 N2 O10
• Calculated formula: C18 H16 Cl2 N2 O10
• Title of publication: Crystal structures of two 1:2 dihydrate compounds of chloranilic acid with 2-carb-oxy-pyridine and 2-carb-oxy-quinoline.
• Authors of publication: Gotoh, Kazuma; Ishida, Hiroyuki
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 12
• Pages of publication: 1840 - 1844
• a: 15.1028 ± 0.001 Å
• b: 3.6851 ± 0.0003 Å
• c: 17.5689 ± 0.0013 Å
• α: 90°
• β: 101.871 ± 0.003°
• γ: 90°
• Cell volume: 956.89 ± 0.12 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• 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: 0.0332
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No