Information card for entry 4513104

Structure parameters

• Chemical name: (E)-1,2-di(pyridin-4-yl)diazene 1,2,4,5-benzenetetracarboxylic acid
• Formula: C20 H14 N4 O8
• Calculated formula: C20 H14 N4 O8
• SMILES: c1cc(/N=N/c2cc[nH+]cc2)cc[nH+]1.c1(C(=O)O)cc(c(cc1C(=O)[O-])C(=O)O)C(=O)[O-]
• Title of publication: Equivalence of Ethylene and Azo-Bridges in the Modular Design of Molecular Complexes: Role of Weak Interactions
• Authors of publication: Ravat, Prince; SeethaLekshmi, Sunil; Biswas, Sharmita Nandy; Nandy, Purnendu; Varughese, Sunil
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 5
• Pages of publication: 2389
• a: 9.749 ± 0.004 Å
• b: 7.643 ± 0.003 Å
• c: 13.372 ± 0.005 Å
• α: 90°
• β: 109.464 ± 0.005°
• γ: 90°
• Cell volume: 939.4 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.0718
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1662
• Weighted residual factors for all reflections included in the refinement: 0.1708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No