Information card for entry 2102026

Structure parameters

• Chemical name: Benzene-1,2,4,5-tetracarboxylic acid‒4,4'-bipyridyl (1/2)
• Formula: C30 H22 N4 O8
• Calculated formula: C30 H22 N4 O8
• SMILES: c1(c(cc(c(c1)C(=O)O)C(=O)[O-])C(=O)O)C(=O)[O-].c1cc(cc[nH+]1)c1ccncc1.c1cc(cc[nH+]1)c1ccncc1
• Title of publication: Hydrogen-bonding behaviour of benzene-1,2,4,5-tetracarboxylic acid: supramolecular structures of different dimensionality in the 2:1 adducts formed with 4,4'-bipyridyl and hexamethylenetetramine
• Authors of publication: Lough, Alan J.; Wheatley, Paul S.; Ferguson, George; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 2
• Pages of publication: 261 - 272
• a: 7.3974 ± 0.0003 Å
• b: 9.6352 ± 0.0004 Å
• c: 10.1688 ± 0.0003 Å
• α: 64.872 ± 0.002°
• β: 72.375 ± 0.002°
• γ: 76.612 ± 0.002°
• Cell volume: 620.92 ± 0.04 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 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: 0.0495
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No