Information card for entry 1520166

Structure parameters

• Chemical name: fumaric acid & 1,2-diaminoethane
• Formula: C6 H12 N2 O4
• Calculated formula: C6 H12 N2 O4
• SMILES: C(=O)(/C=C/C(=O)[O-])[O-].C([NH3+])C[NH3+]
• Title of publication: Ethanediammonium fumarate
• Authors of publication: Callear, Samantha K.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 507
• a: 5.0677 ± 0.0003 Å
• b: 5.5917 ± 0.0004 Å
• c: 7.2473 ± 0.0004 Å
• α: 91.984 ± 0.003°
• β: 103.96 ± 0.004°
• γ: 99.504 ± 0.003°
• Cell volume: 195.97 ± 0.02 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0403
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No