Information card for entry 2230588

Structure parameters

• Chemical name: Ethylenediaminium dinicotinate
• Formula: C14 H18 N4 O4
• Calculated formula: C14 H18 N4 O4
• SMILES: c1c(C(=O)[O-])cccn1.C([NH3+])C[NH3+].c1c(cccn1)C(=O)[O-]
• Title of publication: Ethylenediaminium dinicotinate
• Authors of publication: Zhao, Liang; Feng, Li-ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1789
• a: 6.2953 ± 0.0013 Å
• b: 16.835 ± 0.003 Å
• c: 6.8288 ± 0.0014 Å
• α: 90°
• β: 102.03 ± 0.03°
• γ: 90°
• Cell volume: 707.8 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0878
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1368
• Weighted residual factors for all reflections included in the refinement: 0.1474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes