Information card for entry 2015690

Structure parameters

• Chemical name: Bis(thiazolidine-2-thione-κS^2^)gold(I) bis(4-chlorobenzenesulfonyl)amidate
• Formula: C18 H18 Au Cl2 N3 O4 S6
• Calculated formula: C18 H18 Au Cl2 N3 O4 S6
• SMILES: [Au]([S]=C1NCCS1)[S]=C1NCCS1.[N-](S(=O)(=O)c1ccc(cc1)Cl)S(=O)(=O)c1ccc(cc1)Cl
• Title of publication: Secondary interactions in gold(I) complexes with thione ligands. 5. Two ionic compounds of the form bis(thione)gold(I) bis(4-halobenzenesulfonyl)amide
• Authors of publication: Jones, Peter G.; Friedrichs, Steffi
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m623 - m627
• a: 7.9342 ± 0.001 Å
• b: 25.491 ± 0.003 Å
• c: 12.6874 ± 0.0008 Å
• α: 90°
• β: 97.639 ± 0.008°
• γ: 90°
• Cell volume: 2543.3 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0561
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0486
• Weighted residual factors for all reflections included in the refinement: 0.0526
• Goodness-of-fit parameter for all reflections included in the refinement: 0.832
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes