Information card for entry 2103832

Structure parameters

• Chemical name: 1,2-Bis(4-pyridyl)ethane‒maleic acid (1/2)
• Formula: C20 H20 N2 O8
• Calculated formula: C20 H20 N2 O8
• SMILES: C(=O)(/C=C\C(=O)O)[O-].c1[nH+]ccc(c1)CCc1cc[nH+]cc1.C(=O)(/C=C\C(=O)O)[O-]
• Title of publication: Salts of maleic and fumaric acids with organic polyamines: comparison of isomeric acids as building blocks in supramolecular chemistry
• Authors of publication: Bowes, Katharine F.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 1
• Pages of publication: 100 - 117
• a: 5.7958 ± 0.0003 Å
• b: 9.4489 ± 0.0006 Å
• c: 9.6031 ± 0.0007 Å
• α: 86.787 ± 0.003°
• β: 73.01 ± 0.003°
• γ: 76.986 ± 0.003°
• Cell volume: 490.01 ± 0.05 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0646
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes