Information card for entry 2218525

Structure parameters

• Chemical name: catena-Poly[[chlorido(methyl phenyl sulfide-κS)mercury(II)]-μ-chlorido]
• Formula: C7 H8 Cl2 Hg S
• Calculated formula: C7 H8 Cl2 Hg S
• SMILES: [Hg](Cl)(Cl)([S](c1ccccc1)C)[Cl][Hg](Cl)[S](c1ccccc1)C
• Title of publication: <i>catena</i>-Poly[[chlorido(methyl phenyl sulfide-κ<i>S</i>)mercury(II)]-μ-chlorido]
• Authors of publication: Vigo, Ludmila; Salin, Pekka; Oilunkaniemi, Raija; Laitinen, Risto S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: m809
• a: 5.9616 ± 0.0012 Å
• b: 14.935 ± 0.003 Å
• c: 22.142 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1971.4 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0406
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes