Information card for entry 2219453

Structure parameters

• Chemical name: Dicaesium hexamercury heptasulfide
• Formula: Cs2 Hg6 S7
• Calculated formula: Cs2 Hg6 S7
• SMILES: [Cs+].[Cs+].[Hg+2].[Hg+2].[Hg+2].[Hg+2].[Hg+2].[Hg+2].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2]
• Title of publication: Dicaesium hexamercury heptasulfide
• Authors of publication: Bugaris, Daniel E.; Ibers, James A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: i55 - i56
• a: 14.063 ± 0.003 Å
• b: 14.063 ± 0.003 Å
• c: 4.1895 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 828.5 ± 0.4 ų
• Cell temperature: 215 ± 2 K
• Ambient diffraction temperature: 215 ± 2 K
• Number of distinct elements: 3
• Space group number: 102
• Hermann-Mauguin space group symbol: P 42 n m
• Hall space group symbol: P 4n -2n
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.23
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes