Information card for entry 7135127

Structure parameters

• Chemical name: 3,5-dinitrobenzoic acid, 3-aminobenzoic acid, isonicotinamide
• Formula: C20 H17 N5 O9
• Calculated formula: C20 H17 N5 O9
• 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: 7.2524 ± 0.0005 Å
• b: 8.8044 ± 0.0005 Å
• c: 16.4118 ± 0.001 Å
• α: 93.805 ± 0.002°
• β: 91.218 ± 0.002°
• γ: 94.787 ± 0.002°
• Cell volume: 1041.61 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1863
• Residual factor for significantly intense reflections: 0.092
• Weighted residual factors for significantly intense reflections: 0.2541
• Weighted residual factors for all reflections included in the refinement: 0.3303
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No