Information card for entry 1566119

Structure parameters

• Formula: C26 H40 Cl4 Hg2 O6 S4
• Calculated formula: C26 H40 Cl4 Hg2 O6 S4
• Title of publication: X-ray crystal structure and spectral characterization of pseudo five-coordinate Hg(II) polymeric and four-coordinate binuclear complexes of an ambidentate sulfonium ylide
• Authors of publication: Sabounchei, Seyyed Javad; Bagherjeri, Fateme Akhlaghi; Hosseinzadeh, Marjan; Boskovic, Colette; Gable, Robert W.
• Journal of publication: Comptes Rendus Chimie
• Year of publication: 2014
• Journal volume: 17
• Journal issue: 12
• Pages of publication: 1257 - 1263
• a: 10.1329 ± 0.0003 Å
• b: 12.4857 ± 0.0004 Å
• c: 15.387 ± 0.0007 Å
• α: 110.37 ± 0.004°
• β: 96.693 ± 0.003°
• γ: 90.526 ± 0.003°
• Cell volume: 1809.94 ± 0.12 ų
• Cell temperature: 130 ± 0.1 K
• Ambient diffraction temperature: 130 ± 0.1 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: 0.0601
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No