Information card for entry 2005550

Structure parameters

• Chemical name: 2,2'-Bipyridinium salt of benzene-1,2,4,5-tetracarboxylic acid
• Formula: C20 H14 N2 O8
• Calculated formula: C20 H14 N2 O8
• SMILES: c1(c(C(=O)O)cc(c(c1)C(=O)O)C(=O)O)C(=O)O.c1(cc(c(cc1C(=O)O)C(=O)[O-])C(=O)O)C(=O)[O-].c1(ccccn1)c1[nH+]cccc1.n1c(cccc1)c1[nH+]cccc1
• Title of publication: Hydrogen Bonding in the 2,2'-Bipyridinium Salt of 1,2,4,5-Benzenetetracarboxylic Acid (Pyromellitic Acid)
• Authors of publication: Mrvos-Sermek, D.; Popovic, Z.; Matkovic-Calogovic, D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 10
• Pages of publication: 2538 - 2541
• a: 7.912 ± 0.004 Å
• b: 10.307 ± 0.005 Å
• c: 11.533 ± 0.009 Å
• α: 69.09 ± 0.04°
• β: 87.72 ± 0.03°
• γ: 84.06 ± 0.06°
• Cell volume: 873.8 ± 1 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: 0.0993
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for all reflections: 0.125
• Weighted residual factors for significantly intense reflections: 0.1032
• Goodness-of-fit parameter for all reflections: 1.008
• Goodness-of-fit parameter for significantly intense reflections: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No