Information card for entry 7114732

Structure parameters

• Formula: C14 H10 As2 F12 S3
• Calculated formula: C14 H10 As2 F12 S3
• Title of publication: Synthesis and characterization of the heteroaromatic MF6− (M = As, Sb) salts of the 1,2,4-trithiolanylium dication [PhCSSC(Ph)S]2+
• Authors of publication: Cameron, T. Stanley; Decken, Andreas; Fang, Min; Passmore, Jack
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 15
• Pages of publication: 1370
• a: 9.1371 ± 0.0009 Å
• b: 14.8501 ± 0.0015 Å
• c: 15.4273 ± 0.0017 Å
• α: 90°
• β: 107.747 ± 0.007°
• γ: 90°
• Cell volume: 1993.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 5
• 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: 0.1356
• Residual factor for significantly intense reflections: 0.0757
• Weighted residual factors for significantly intense reflections: 0.1908
• Weighted residual factors for all reflections included in the refinement: 0.2136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No