Information card for entry 4305557

Structure parameters

• Formula: C8 H10 Hg S
• Calculated formula: C8 H10 Hg S
• SMILES: [Hg](CC)Sc1ccccc1
• Title of publication: Molecular Structures of Thimerosal (Merthiolate) and Other Arylthiolate Mercury Alkyl Compounds
• Authors of publication: Jonathan G. Melnick; Kevin Yurkerwich; Daniela Buccella; Wesley Sattler; Gerard Parkin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 6421 - 6426
• a: 22.122 ± 0.002 Å
• b: 10.8929 ± 0.0011 Å
• c: 7.5251 ± 0.0008 Å
• α: 90°
• β: 102.619 ± 0.002°
• γ: 90°
• Cell volume: 1769.5 ± 0.3 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0279
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No