Information card for entry 2216341

Structure parameters

• Chemical name: 3,3'-(5-Chloro-2-hydroxy-m-phenylenedimethylene)diimidazolium oxalate
• Formula: C16 H15 Cl N4 O5
• Calculated formula: C16 H15 Cl N4 O5
• SMILES: Clc1cc(c(O)c(c1)Cn1cc[nH+]c1)Cn1cc[nH+]c1.O=C([O-])C(=O)[O-]
• Title of publication: 3,3'-(5-Chloro-2-hydroxy-<i>m</i>-phenylenedimethylene)diimidazolium oxalate
• Authors of publication: Xiao-Yu Su; Wen-Hai Wang; Jing-Bo Lan; Zhi-Hua Mao; Ru-Gang Xie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4513 - o4514
• a: 7.3158 ± 0.0018 Å
• b: 19.824 ± 0.004 Å
• c: 11.901 ± 0.002 Å
• α: 90°
• β: 95.18 ± 0.02°
• γ: 90°
• Cell volume: 1718.9 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• 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: 0.1324
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1708
• Weighted residual factors for all reflections included in the refinement: 0.2014
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes