Information card for entry 2222578

Structure parameters

• Chemical name: 1,3-Bis(carboxymethyl)imidazolium triiodide 1-carboxylatomethyl-3-carboxymethylimidazolium
• Formula: C14 H17 I3 N4 O8
• Calculated formula: C14 H17 I3 N4 O8
• SMILES: I[I-]I.O=C(Cn1c[n+](cc1)CC(=O)O)O.O=C(Cn1c[n+](cc1)CC(=O)O)[O-]
• Title of publication: 1,3-Bis(carboxymethyl)imidazolium triiodide 1-carboxylatomethyl-3-carboxymethylimidazolium
• Authors of publication: Miao, Jinling; Hu, Chunhua; Chen, Haiyan; Yuan, Guizhen; Nie, Yong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1780
• a: 22.26 ± 0.003 Å
• b: 10.1973 ± 0.0017 Å
• c: 10.1077 ± 0.0017 Å
• α: 90°
• β: 92.209 ± 0.002°
• γ: 90°
• Cell volume: 2292.7 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes