Information card for entry 1550247

Structure parameters

• Formula: C10 H16 Hg2 I4 N4 S2
• Calculated formula: C10 H16 Hg2 I4 N4 S2
• SMILES: [Hg]1([I][Hg]([I]1)(I)[S]=C1N(C)C=CN1C)(I)[S]=C1N(C)C=CN1C
• Title of publication: Cytoprotective effects of imidazole-based [S₁] and [S₂]-donor ligands against mercury toxicity: a bioinorganic approach.
• Authors of publication: Karri, Ramesh; Chalana, Ashish; Das, Ranajit; Rai, Rakesh Kumar; Roy, Gouriprasanna
• Journal of publication: Metallomics : integrated biometal science
• Year of publication: 2019
• Journal volume: 11
• Journal issue: 1
• Pages of publication: 213 - 225
• a: 10.1454 ± 0.0003 Å
• b: 15.0815 ± 0.0003 Å
• c: 15.2995 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2340.94 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0262
• Residual factor for significantly intense reflections: 0.0212
• Weighted residual factors for significantly intense reflections: 0.0445
• Weighted residual factors for all reflections included in the refinement: 0.0467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No