Information card for entry 2232778

Structure parameters

• Chemical name: 1,1'-[(Biphenyl-4,4'-diyl)bis(methylene)]di-1<i>H</i>-imidazol-3-ium tetrachloridomercurate(II)
• Formula: C20 H20 Cl4 Hg N4
• Calculated formula: C20 H20 Cl4 Hg N4
• SMILES: c1cn(c[nH+]1)Cc1ccc(cc1)c1ccc(cc1)Cn1cc[nH+]c1.[Cl-][Hg](Cl)(Cl)[Cl-]
• Title of publication: 1,1'-[(Biphenyl-4,4'-diyl)bis(methylene)]di-1<i>H</i>-imidazol-3-ium tetrachloridomercurate(II)
• Authors of publication: Wen, Bo; Hou, Guang-Feng; Yu, Ying-Hui; Gao, Jin-Sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1756
• a: 8.9318 ± 0.0018 Å
• b: 15.347 ± 0.003 Å
• c: 16.84 ± 0.003 Å
• α: 90°
• β: 92.62 ± 0.03°
• γ: 90°
• Cell volume: 2306 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0521
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.0682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes