Information card for entry 7135123

Structure parameters

• Chemical name: 3,5-dinitrobenzoic acid, isonicotinamide
• Formula: C19 H16 N6 O8
• Calculated formula: C19 H16 N6 O8
• Title of publication: Design and synthesis of ternary multi-component crystals by sublimation.
• Authors of publication: Scheepers, Matthew C.; Haynes, Delia A.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• a: 8.1848 ± 0.0003 Å
• b: 10.8341 ± 0.0004 Å
• c: 12.2177 ± 0.0005 Å
• α: 71.159 ± 0.002°
• β: 81.7 ± 0.002°
• γ: 89.974 ± 0.002°
• Cell volume: 1013.38 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1878
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1426
• Weighted residual factors for all reflections included in the refinement: 0.1948
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No