Information card for entry 7114730

Structure parameters

• Formula: C14 H10 F12 S3 Sb2
• Calculated formula: C14 H10 F12 S3 Sb2
• SMILES: [Sb](F)(F)(F)(F)([F-])F.[Sb](F)(F)(F)(F)(F)[F-].[S+]1[S+]=C(SC=1c1ccccc1)c1ccccc1
• 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: 9.359 ± 0.005 Å
• b: 15.148 ± 0.002 Å
• c: 15.762 ± 0.002 Å
• α: 90°
• β: 104.56 ± 0.02°
• γ: 90°
• Cell volume: 2162.8 ± 1.2 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections: 0.208
• Weighted residual factors for all reflections included in the refinement: 0.202
• Goodness-of-fit parameter for all reflections: 2.91
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No