Information card for entry 2201925

Structure parameters

• Common name: 1H-nicotinamidium 3,5-dinitrosalicylate
• Chemical name: 1H-nicotinamidium 3,5-dinitrosalicylate
• Formula: C13 H10 N4 O8
• Calculated formula: C13 H10 N4 O8
• Title of publication: 1<i>H</i>-Nicotinamidium 3,5-dinitrosalicylate
• Authors of publication: Koman, Marian; Martiška, Ladislav; Valigura, Dušan; Glowiak, Tadeuš
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 4
• Pages of publication: o441 - o442
• a: 4.74 ± 0.001 Å
• b: 21.968 ± 0.004 Å
• c: 13.858 ± 0.003 Å
• α: 90°
• β: 94.62 ± 0.03°
• γ: 90°
• Cell volume: 1438.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0644
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes