Information card for entry 2207081

Structure parameters

• Chemical name: 2,2'-Biimidazol-1-ium trichloroacetate
• Formula: C8 H7 Cl3 N4 O2
• Calculated formula: C8 H7 Cl3 N4 O2
• SMILES: ClC(Cl)(Cl)C(=O)[O-].[nH]1ccnc1c1[nH]cc[nH+]1
• Title of publication: 2,2'-Biimidazol-1-ium trichloroacetate
• Authors of publication: Ji-Xin Yuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3294 - o3296
• a: 12.401 ± 0.0013 Å
• b: 5.5664 ± 0.0006 Å
• c: 17.3648 ± 0.0018 Å
• α: 90°
• β: 100.858 ± 0.002°
• γ: 90°
• Cell volume: 1177.2 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0673
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes