Information card for entry 1506365

Structure parameters

• Chemical name: ethylenediammonium 3,5-dinitrobenzoate
• Formula: C8 H8 N3 O6
• Calculated formula: C8 H8 N3 O6
• Title of publication: Crystallization of a salt of a weak organic acid and base: solubility relations, supersaturation control and polymorphic behavior.
• Authors of publication: Jones, H. P.; Davey, R. J.; Cox, B. G.
• Journal of publication: The journal of physical chemistry. B
• Year of publication: 2005
• Journal volume: 109
• Journal issue: 11
• Pages of publication: 5273 - 5278
• a: 6.7331 ± 0.0003 Å
• b: 7.8045 ± 0.0003 Å
• c: 10.4466 ± 0.0005 Å
• α: 94.764 ± 0.002°
• β: 108.278 ± 0.002°
• γ: 97.433 ± 0.002°
• Cell volume: 512.4 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0576
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No