Information card for entry 4122466

Structure parameters

• Formula: C31 H44 Au Cl13 F6 N6 O6 S2
• Calculated formula: C31 H44 Au Cl13 F6 N6 O6 S2
• SMILES: [Au](Cl)([n]1ccc(cc1)N(C)C)([n]1ccc(N(C)C)cc1)=C1N(C(C)C)C(=C(N1C(C)C)C)C.S(=O)(=O)([O-])C(F)(F)F.ClC(Cl)Cl.S(=O)(=O)([O-])C(F)(F)F.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl
• 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: 11.643 ± 0.002 Å
• b: 14.53 ± 0.003 Å
• c: 18.161 ± 0.004 Å
• α: 101.94 ± 0.03°
• β: 98.01 ± 0.03°
• γ: 110.07 ± 0.03°
• Cell volume: 2748.4 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No