Information card for entry 7029116

Structure parameters

• Formula: C6 H11 Au Cl4 S3
• Calculated formula: C6 H11 Au Cl4 S3
• SMILES: [Au](Cl)(Cl)(Cl)[Cl-].S1CC[S+]2CCSCC12
• Title of publication: Gold(iii) assisted C-H activation of 1,4,7-trithiacyclononane: synthesis and spontaneous resolution of a bicyclic chiral sulfonium salt.
• Authors of publication: Janzen, D. E.; Kooyman, A. M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 9
• Pages of publication: 3424 - 3427
• a: 8.8141 ± 0.0008 Å
• b: 15.9546 ± 0.0015 Å
• c: 19.374 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2724.5 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for all reflections included in the refinement: 0.0519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No