Information card for entry 7115181

Structure parameters

• Formula: C6 H4 As3 F18 N3 S6
• Calculated formula: C6 H4 As3 F18 N3 S6
• SMILES: c1([n+](c(ns1)C)c1ns[s+]c1)C1=[S+]SS1.[As](F)(F)(F)(F)(F)[F-].[As](F)(F)(F)(F)(F)[F-].[As](F)(F)(F)(F)([F-])F
• Title of publication: Oxidation of methyl groups in the reaction of sulfur homopolyatomic cations with acetonitrile: formation and crystal structure of the novel trithietanylium ring
• Authors of publication: Stanley Cameron, T.; Decken, Andreas; Fang, Min; Passmore, Jack; Wood, Dale J.; Parsons, Simon
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 18
• Pages of publication: 1801
• a: 13.9666 ± 0.0001 Å
• b: 10.6426 ± 0.0001 Å
• c: 16.5839 ± 0.0001 Å
• α: 90°
• β: 111.285 ± 0.001°
• γ: 90°
• Cell volume: 2296.9 ± 0.03 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1499
• Goodness-of-fit parameter for significantly intense reflections: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No