Information card for entry 2229368

Structure parameters

• Chemical name: Poly[(μ~2~-2<i>H</i>,5<i>H</i>-1,3-dithiolo[4,5-<i>d</i>][1,3]dithiole- 2,5-dithione)hexa-μ~2~-iodido-diiodidotetramercury(II)]
• Formula: C2 Hg2 I4 S3
• Calculated formula: C2 Hg2 I4 S3
• Title of publication: Two-dimensional polymeric [Hg~4~(μ~2~-I)~6~I~2~(μ~2~-C~4~S~6~)]~<i>n~</i>
• Authors of publication: Hameau, Aurélien; Guyon, Fabrice; Knorr, Michael; Colquhoun, Victoria P.; Strohmann, Carsten
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: m389
• a: 8.5502 ± 0.0006 Å
• b: 11.2156 ± 0.0008 Å
• c: 13.4634 ± 0.0009 Å
• α: 90°
• β: 91.343 ± 0.001°
• γ: 90°
• Cell volume: 1290.73 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes