Information card for entry 2241409

Structure parameters

• Chemical name: <i>catena</i>-Poly[1,3-dibenzylbenzimidazolium [[chloridomercurate(II)]-di-μ-chlorido]]
• Formula: C21 H19 Cl3 Hg N2
• Calculated formula: C21 H19 Cl3 Hg N2
• SMILES: [Hg]1(Cl)(Cl)(Cl)[Cl][Hg](Cl)[Cl]1.n1(c2ccccc2[n+](c1)Cc1ccccc1)Cc1ccccc1.n1(c2ccccc2[n+](c1)Cc1ccccc1)Cc1ccccc1
• Title of publication: Crystal structure of <i>catena</i>-poly[1,3-dibenzylbenzimidazolium [[chloridomercurate(II)]-di-μ-chlorido]]
• Authors of publication: Bouchouit, Mehdi; Bouraiou, Abdelmalek; Bouacida, Sofiane; Merazig, Hocine; Belfaitah, Ali; Bahnous, Mebarek
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: m255 - m256
• a: 20.3669 ± 0.0011 Å
• b: 14.8837 ± 0.0007 Å
• c: 7.2154 ± 0.0004 Å
• α: 90°
• β: 104.372 ± 0.002°
• γ: 90°
• Cell volume: 2118.79 ± 0.19 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0786
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes