Information card for entry 2013013

Structure parameters

• Chemical name: 4,4'-ethylenedipyridinium dimaleate
• Formula: C20 H18 N2 O8
• Calculated formula: C20 H18 N2 O8
• SMILES: C(=O)(O)/C=C\C(=O)[O-].c1c[nH+]ccc1/C=C/c1cc[nH+]cc1.C(=O)(/C=C\C(=O)[O-])O
• Title of publication: Hydrogen-bonded 1,2-bis(4-pyridyl)ethylene and maleic acid
• Authors of publication: Zhang, Jing; Hou, Xueliang; Bu, Weifeng; Wu, Lixin; Ye, Ling; Yang, Guangdi; Fan, Yuguo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 11
• Pages of publication: o663 - o664
• a: 5.7148 ± 0.0009 Å
• b: 8.6568 ± 0.0008 Å
• c: 10.6906 ± 0.0011 Å
• α: 108.623 ± 0.009°
• β: 99.878 ± 0.015°
• γ: 105.561 ± 0.013°
• Cell volume: 463.26 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.097
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.166
• Weighted residual factors for all reflections included in the refinement: 0.188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes