Information card for entry 2201053

Structure parameters

• Common name: (tetpy2H) (NO3)2
• Formula: C12 H12 N6 O7
• Calculated formula: C12 H12 N6 O7
• SMILES: O=N(=O)[O-].O=N(=O)[O-].[nH+]1ccc(cc1)/C=N/NC(=O)c1cc[nH+]cc1
• Title of publication: 1-(4-Pyridinio)-2'-[4-pyridinio-(<i>E</i>)-methylidene]hydrazide dinitrate
• Authors of publication: Marina Felloni; Peter Hubberstey; Martin Schröder; Claire Wilson
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 5
• Pages of publication: o519 - o522
• a: 7.9639 ± 0.0009 Å
• b: 14.017 ± 0.002 Å
• c: 13.0563 ± 0.0015 Å
• α: 90°
• β: 95.995 ± 0.002°
• γ: 90°
• Cell volume: 1449.5 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes