Information card for entry 2010545

Structure parameters

• Chemical name: bis[chloro(1,3-imidazolium-2-thiolato-S)]mercury(II)
• Formula: C6 H8 Cl2 Hg N4 S2
• Calculated formula: C6 H8 Cl2 Hg N4 S2
• SMILES: [Hg](Cl)(Cl)(Sc1[nH]cc[nH]1)Sc1[nH]cc[nH]1
• Title of publication: A 1:2 complex of mercury(II) chloride with 1,3-imidazole-2-thione
• Authors of publication: Pavlović, Gordana; Popović, Zora; Soldin, Željka; Matković-Čalogović, Dubravka
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 1
• Pages of publication: 61 - 63
• a: 7.5296 ± 0.0011 Å
• b: 13.7209 ± 0.0019 Å
• c: 11.7587 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1214.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.079
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 0.897
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No