Information card for entry 2242208

Structure parameters

• Chemical name: <i>catena</i>-Poly[[dichloridomercury(II)]-μ-2,2'-(2-bromo-5-<i>tert</i>-butyl-1,3-phenylene)bis(1-methyl-1<i>H</i>-benzimidazole)-κ^2^<i>N</i>^3^:<i>N</i>^3'^]
• Formula: C26 H25 Br Cl2 Hg N4
• Calculated formula: C26 H25 Br Cl2 Hg N4
• SMILES: [Hg](Cl)(Cl)([n]1c(n(c2c1cccc2)C)c1c(Br)c(cc(c1)C(C)(C)C)c1nc2ccccc2n1C)[n]1c(c2c(Br)c(c3[n]([Hg](Cl)Cl)c4ccccc4n3C)cc(c2)C(C)(C)C)n(c2c1cccc2)C
• Title of publication: Synthesis and structure of the mercury chloride complex of 2,2'-(2-bromo-5-<i>tert</i>-butyl-1,3-phenylene)bis(1-methyl-1<i>H</i>-benzimidazole)
• Authors of publication: Rani, Varsha; Singh, Harkesh B.; Butcher, Ray J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 3
• Pages of publication: 341 - 344
• a: 9.50481 ± 0.00018 Å
• b: 13.3872 ± 0.0002 Å
• c: 20.3322 ± 0.0004 Å
• α: 90°
• β: 93.0955 ± 0.0019°
• γ: 90°
• Cell volume: 2583.35 ± 0.08 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• 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: 0.0438
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes