Information card for entry 2208109

Structure parameters

• Chemical name: Ethylenediammonium bis(trihydrogen 1,2,4,5-benzenetetracarboxylate) dihydrate
• Formula: C22 H24 N2 O18
• Calculated formula: C22 H24 N2 O18
• SMILES: c1(c(cc(c(c1)C(=O)O)C(=O)O)C(=O)[O-])C(=O)O.[NH3+]CC[NH3+].O.c1(c(cc(c(c1)C(=O)O)C(=O)O)C(=O)[O-])C(=O)O.O
• Title of publication: Ethylenediammonium bis(trihydrogen 1,2,4,5-benzenetetracarboxylate) dihydrate
• Authors of publication: Li, Xin-Fa; Liu, Dong-Sheng; Luo, Qiu-Yan; Huang, Chang-Cang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o460 - o462
• a: 8.118 ± 0.002 Å
• b: 8.2266 ± 0.0017 Å
• c: 9.596 ± 0.003 Å
• α: 83.5 ± 0.01°
• β: 77.178 ± 0.013°
• γ: 72.395 ± 0.01°
• Cell volume: 594.9 ± 0.3 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: 0.078
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1519
• Weighted residual factors for all reflections included in the refinement: 0.1999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes