Information card for entry 7135125

Structure parameters

• Chemical name: 3,5-dinitrobenzoic acid, 3-aminobenzoic acid, 4,4'-bipyridine
• Formula: C31 H23 N7 O14
• Calculated formula: C31 H23 N7 O14
• 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: 17.8367 ± 0.0005 Å
• b: 12.2586 ± 0.0003 Å
• c: 13.8777 ± 0.0004 Å
• α: 90°
• β: 90.554 ± 0.002°
• γ: 90°
• Cell volume: 3034.26 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1079
• Residual factor for significantly intense reflections: 0.0985
• Weighted residual factors for significantly intense reflections: 0.2812
• Weighted residual factors for all reflections included in the refinement: 0.2869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No