Information card for entry 2242100

Structure parameters

• Chemical name: 2,2'-(5-<i>tert</i>-Butyl-1,3-phenylene)bis(1-pentyl-1<i>H</i>-benzimidazol-3-ium) tetrachloridomercurate(II)
• Formula: C34 H44 Cl4 Hg N4
• Calculated formula: C34 H44 Cl4 Hg N4
• Title of publication: Structure of 2,2'-(5-<i>tert</i>-butyl-1,3-phenylene)bis(1-pentyl-1<i>H</i>-benzimidazol-3-ium) tetrachloridomercurate(II)
• 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: 4
• Pages of publication: 560 - 563
• a: 9.806 ± 0.005 Å
• b: 11.264 ± 0.005 Å
• c: 17.274 ± 0.005 Å
• α: 96.727 ± 0.005°
• β: 95.859 ± 0.005°
• γ: 108.575 ± 0.005°
• Cell volume: 1776.4 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0196
• Residual factor for significantly intense reflections: 0.0195
• Weighted residual factors for significantly intense reflections: 0.0478
• Weighted residual factors for all reflections included in the refinement: 0.0479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes