Information card for entry 2200055

Structure parameters

• Chemical name: Ethylenediammonium phthalate
• Formula: C10 H14 N2 O4
• Calculated formula: C10 H14 N2 O4
• SMILES: [O-]C(=O)c1c(cccc1)C(=O)[O-].[NH3+]CC[NH3+]
• Title of publication: Ethylenediammonium phthalate
• Authors of publication: Edwards, Selvin H.; Kahwa, Ishenkumba A.; Mague, Joel T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 1
• Pages of publication: o20 - o21
• a: 21.825 ± 0.003 Å
• b: 12.384 ± 0.001 Å
• c: 8.048 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2175.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.108
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes