Information card for entry 2217061

Structure parameters

• Common name: (E)-isonicotiniumaldehyde oxime oxalate
• Chemical name: Bis[(<i>E</i>)-4-(hydroxyiminomethyl)pyridinium] oxalate
• Formula: C14 H14 N4 O6
• Calculated formula: C14 H14 N4 O6
• SMILES: c1cc(cc[nH+]1)/C=N/O.C(=O)([O-])C(=O)[O-].c1cc(cc[nH+]1)/C=N/O
• Title of publication: Bis[(<i>E</i>)-4-(hydroxyiminomethyl)pyridinium] oxalate
• Authors of publication: Seidel, Rüdiger W.; Winter, Manuela V.; Oppel, Iris M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o181 - o181
• a: 4.8895 ± 0.0002 Å
• b: 15.292 ± 0.0005 Å
• c: 10.0491 ± 0.0004 Å
• α: 90°
• β: 103.967 ± 0.004°
• γ: 90°
• Cell volume: 729.16 ± 0.05 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.049
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes