Information card for entry 2242041

Structure parameters

• Chemical name: <i>catena</i>-Poly[[di(bromido/chlorido)mercury(II)]-μ-2,2'-(5-<i>tert</i>-butyl-1,3-phenylene)bis(1-pentyl-1<i>H</i>-benzimidazole)-κ^2^<i>N</i>^3^:<i>N</i>^3'^]
• Formula: C34 H42 Br1.52 Cl0.48 Hg N4
• Calculated formula: C34 H42 Br1.515 Cl0.485 Hg N4
• Title of publication: Structure of the mercury(II) mixed-halide (Br/Cl) complex of 2,2'-(5-<i>tert</i>-butyl-1,3-phenylene)bis(1-pentyl-1<i>H</i>-benzo[<i>d</i>]imidazole)
• 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: 423 - 428
• a: 22.8887 ± 0.0014 Å
• b: 13.883 ± 0.0008 Å
• c: 21.1396 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6717.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes