Information card for entry 2017657

Structure parameters

• Chemical name: 4,4'-{[oxalylbis(azanediyl)]dimethylene}dipyridinium dinitrate
• Formula: C14 H16 N6 O8
• Calculated formula: C14 H16 N6 O8
• SMILES: c1cc(CNC(=O)C(=O)NCc2cc[nH+]cc2)cc[nH+]1.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Hydrogen-bonded supramolecular networks of <i>N</i>,<i>N</i>'-bis(4-pyridylmethyl)oxalamide and 4,4'-{[oxalylbis(azanediyl)]dimethylene}dipyridinium dinitrate
• Authors of publication: Lee, Gene-Hsiang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o241 - o244
• a: 5.3668 ± 0.0005 Å
• b: 10.7271 ± 0.001 Å
• c: 14.8628 ± 0.0014 Å
• α: 90°
• β: 94.746 ± 0.002°
• γ: 90°
• Cell volume: 852.72 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0864
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes