Information card for entry 2217161

Structure parameters

• Chemical name: Bis(2-methylimidazolium) chloranilate
• Formula: C14 H14 Cl2 N4 O4
• Calculated formula: C14 H14 Cl2 N4 O4
• SMILES: c1([nH]cc[nH+]1)C.C1(=C([O-])C(=O)C(=C([O-])C1=O)Cl)Cl.c1(C)[nH]cc[nH+]1
• Title of publication: Bis(2-methylimidazolium) chloranilate
• Authors of publication: Jia, Li-Hui; Mu, Zong-E; Liu, Zu-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o32 - o32
• a: 8.5092 ± 0.001 Å
• b: 7.6658 ± 0.0009 Å
• c: 12.7204 ± 0.0016 Å
• α: 90°
• β: 91.204 ± 0.002°
• γ: 90°
• Cell volume: 829.57 ± 0.17 ų
• Cell temperature: 296 ± 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: 0.1012
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes