Information card for entry 4510964

Structure parameters

• Common name: 3,5-dinitrobenzoic acid - 4,4'-bipyridine - 4-(dimethylamino)benzoic acid
• Chemical name: 3,5-dinitrobenzoic acid - 4,4'-bipyridine - 4-(dimethylamino)benzoic acid
• Formula: C21 H19 N4 O8
• Calculated formula: C21 H19 N4 O8
• Title of publication: Tuning Proton Behavior in a Ternary Molecular Complex
• Authors of publication: Thomas, Lynne H.; Blagden, Nicholas; Gutmann, Matthias J.; Kallay, Andras A.; Parkin, Andrew; Seaton, Colin C.; Wilson, Chick C.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 6
• Pages of publication: 2770
• a: 7.5996 ± 0.0013 Å
• b: 8.6673 ± 0.0016 Å
• c: 15.484 ± 0.003 Å
• α: 79.549 ± 0.012°
• β: 82.855 ± 0.012°
• γ: 87.305 ± 0.013°
• Cell volume: 994.9 ± 0.3 ų
• Cell temperature: 40 ± 2 K
• Ambient diffraction temperature: 40 ± 2 K
• Ambient diffracton pressure: 101.325 kPa
• 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: 0.1031
• Residual factor for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.2242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.337
• Diffraction radiation probe: neutron
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No