Information card for entry 1557812

Structure parameters

• Common name: (Me3S)HgI3
• Formula: C3 H9 Hg I3 S
• Calculated formula: C3 Hg I3 S
• SMILES: [Hg](I)(I)[I-].[S+](C)(C)C
• Title of publication: Structure of the Triiodomercurate(II) Ion in the Solid and Liquid State
• Authors of publication: Bengtsson, Lars A.; Noren, Bertil; Stegemann, Harald
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1995
• Journal volume: 49
• Pages of publication: 391 - 398
• a: 8.496 ± 0.001 Å
• b: 15.5 ± 0.002 Å
• c: 9.324 ± 0.001 Å
• α: 90°
• β: 97.96 ± 0.01°
• γ: 90°
• Cell volume: 1216 ± 0.3 ų
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No