Information card for entry 7135121

Structure parameters

• Chemical name: 3,5-dinitrobenzoic acid, isonicotinamide
• Formula: C13 H10 N4 O7
• Calculated formula: C13 H10 N4 O7
• 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: 7.4442 ± 0.0001 Å
• b: 9.0095 ± 0.0001 Å
• c: 10.8263 ± 0.0002 Å
• α: 88.03 ± 0.001°
• β: 76.686 ± 0.001°
• γ: 87.558 ± 0.001°
• Cell volume: 705.721 ± 0.018 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: 0.06
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No