Information card for entry 3500091

Structure parameters

• Common name: 'benzoic acid 3,5-dicarboxylate ethylenediammonium'
• Formula: C11 H14 N2 O6
• Calculated formula: C11 H14 N2 O6
• Title of publication: benzoic acid 3,5-dicarboxylate ethylenediammonium
• Authors of publication: Thierry Maris
• Journal of publication: Personal communication to COD
• Year of publication: 2020
• a: 16.9583 ± 0.0006 Å
• b: 6.7846 ± 0.0002 Å
• c: 20.6053 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2370.75 ± 0.14 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes