Information card for entry 7013021

Structure parameters

• Common name: (4-methyl-3H-thiazole-2-thione-kappaS)pentafluorophenylgold(i)
• Chemical name: (4-methyl-3H-thiazole-2-thione-κS)pentafluorophenylgold(I)
• Formula: C10 H5 Au F5 N S2
• Calculated formula: C10 H5 Au F5 N S2
• SMILES: [Au]([S]=c1scc([nH]1)C)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: Synthesis and characterisation of N-coordinated pentafluorophenyl gold(i) thiazole-derived complexes and an unusual self-assembly to form a tetrameric gold(i) complexElectronic supplementary information (ESI) available: Characterisation data for 1. See http://www.rsc.org/suppdata/dt/b3/b303625a/
• Authors of publication: Cronje, Stephanie; Raubenheimer, Helgard G.; Spies, Hendrik S. C.; Esterhuysen, Catharine; Schmidbaur, Hubert; Schier, Annette; Kruger, Gert J.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 14
• Pages of publication: 2859
• a: 7.4858 ± 0.0005 Å
• b: 12.2944 ± 0.0009 Å
• c: 13.5153 ± 0.001 Å
• α: 90°
• β: 92.933 ± 0.002°
• γ: 90°
• Cell volume: 1242.23 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0814
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1719
• Weighted residual factors for all reflections included in the refinement: 0.1854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No