Information card for entry 4122474

Structure parameters

• Formula: C17 H12 Au F6 N3 O7 S2
• Calculated formula: C17 H12 Au F6 N3 O7 S2
• SMILES: [Au]12(O)[n]3c(cccc3c3cccc[n]13)c1cccc[n]21.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Facile Formation of Homoleptic Au(III) Trications via Simultaneous Oxidation and Ligand Delivery from [PhI(pyridine)2](2+).
• Authors of publication: Corbo, Robert; Pell, Thomas P.; Stringer, Bradley D.; Hogan, Conor F.; Wilson, David J. D.; Barnard, Peter J.; Dutton, Jason L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 35
• Pages of publication: 12415 - 12421
• a: 8.8637 ± 0.0018 Å
• b: 9.888 ± 0.002 Å
• c: 12.962 ± 0.003 Å
• α: 78.51 ± 0.03°
• β: 80.16 ± 0.03°
• γ: 79.86 ± 0.03°
• Cell volume: 1085 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No