Information card for entry 2004371

Structure parameters

• Chemical name: catena-{1,4,7,10-tetraoxa-13,16-dithiacyclooctadecane-S,S'-mercury(II)- bis(μ-chloro)-mercury(II)dichloride}
• Formula: C12 H24 Cl4 Hg2 O4 S2
• Calculated formula: C12 H24 Cl4 Hg2 O4 S2
• SMILES: [Hg]1([Cl][Hg](Cl)Cl)(Cl)[S]2CC[S]1CCOCCOCCOCCOCC2
• Title of publication: <i>catena</i>-{[HgCl~2~([18]aneS~2~O~4~)]HgCl~2~} at 150K: a Redetermination and Reinterpretation
• Authors of publication: Blake, A. J.; Parsons, S.; Radek, C.; Schröder, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 1
• Pages of publication: 21 - 24
• a: 8.269 ± 0.004 Å
• b: 11.31 ± 0.005 Å
• c: 12.332 ± 0.005 Å
• α: 92.45 ± 0.03°
• β: 95.02 ± 0.03°
• γ: 105.78 ± 0.04°
• Cell volume: 1102.9 ± 0.9 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for all reflections: 0.0933
• Weighted residual factors for significantly intense reflections: 0.0871
• Goodness-of-fit parameter for all reflections: 1.109
• Goodness-of-fit parameter for significantly intense reflections: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No