Information card for entry 2235296

Structure parameters

• Chemical name: Bis(2-trifluoromethyl-1<i>H</i>-benzimidazol-3-ium) tetrachloridomercurate dihydrate
• Formula: C16 H16 Cl4 F6 Hg N4 O2
• Calculated formula: C16 H16 Cl4 F6 Hg N4 O2
• Title of publication: Bis(2-trifluoromethyl-1<i>H</i>-benzimidazol-3-ium) tetrachloridomercurate dihydrate
• Authors of publication: Liu, Ming-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: m716
• a: 9.2485 ± 0.0018 Å
• b: 10.029 ± 0.002 Å
• c: 14.754 ± 0.003 Å
• α: 79.4 ± 0.03°
• β: 75.79 ± 0.03°
• γ: 67.74 ± 0.03°
• Cell volume: 1221.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0809
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes