Information card for entry 2007249

Structure parameters

• Chemical name: bis{μ-chloro-[chloro-2-ammoniobenzenethiolato]mercury(II)}
• Formula: C12 H14 Cl4 Hg2 N2 S2
• Calculated formula: C12 H14 Cl4 Hg2 N2 S2
• SMILES: S([Hg]1(Cl)[Cl][Hg](Sc2c([NH3+])cccc2)(Cl)[Cl]1)c1c([NH3+])cccc1
• Title of publication: Di-μ-chloro-bis[(2-ammoniobenzenethiolato-<i>S</i>)chloromercury(II)]
• Authors of publication: Davidović, Naka; Matković-Čalogović, Dubravka; Popović, Zora; Vedrina-Dragojević, Irena
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 5
• Pages of publication: 574 - 576
• a: 17.786 ± 0.002 Å
• b: 14.504 ± 0.001 Å
• c: 7.437 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1918.5 ± 0.8 ų
• Cell temperature: 295 ± 0.1 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: 0.0778
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No