Information card for entry 2241408

Structure parameters

• Chemical name: {Bis[(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)methyl]sulfane}dichloridomercury(II)
• Formula: C16 H14 Cl2 Hg N4 S
• Calculated formula: C16 H14 Cl2 Hg N4 S
• SMILES: c12ccccc1[nH]c1CSCc3[n](c4ccccc4[nH]3)[Hg]([n]21)(Cl)Cl
• Title of publication: Crystal structure of {bis[(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)methyl]sulfane}dichloridomercury(II)
• Authors of publication: Bouchouit, Mehdi; Benzerka, Saida; Bouraiou, Abdelmalek; Merazig, Hocine; Belfaitah, Ali; Bouacida, Sofiane
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: m253 - m254
• a: 13.8558 ± 0.0003 Å
• b: 15.4983 ± 0.0004 Å
• c: 16.1108 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3459.65 ± 0.14 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.0455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes