Information card for entry 2202137

Structure parameters

• Formula: C13 H16 N4 O6
• Calculated formula: C13 H16 N4 O6
• Title of publication: 4,4'-Trimethylenedipyridinium dinitrate
• Authors of publication: Lee, Ting Wai; Lau, Jasmine Po Kwan; Szeto, Lap
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: o792 - o793
• a: 7.894 ± 0.006 Å
• b: 21.037 ± 0.004 Å
• c: 9.879 ± 0.006 Å
• α: 90°
• β: 112.39 ± 0.04°
• γ: 90°
• Cell volume: 1516.9 ± 1.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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 significantly intense reflections: 0.0438
• Weighted residual factors for all reflections included in the refinement: 0.0484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.461
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes