Information card for entry 2103612

Structure parameters

• Chemical name: 3,5-Dinitrobenzoic acid‒1,2-bis(4'-pyridyl)ethane (2/1)
• Formula: C26 H20 N6 O12
• Calculated formula: C26 H20 N6 O12
• Title of publication: Salts of 3,5-dinitrobenzoic acid with organic diamines: hydrogen-bonded supramolecular structures in one, two and three dimensions
• Authors of publication: Burchell, Colin J.; Glidewell, Christopher; Lough, Alan J.; Ferguson, George
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 2
• Pages of publication: 201 - 212
• a: 10.1344 ± 0.0006 Å
• b: 4.942 ± 0.0002 Å
• c: 27.5984 ± 0.0014 Å
• α: 90°
• β: 110.96 ± 0.002°
• γ: 90°
• Cell volume: 1290.78 ± 0.11 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.0586
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes