Information card for entry 4122467

Structure parameters

• Formula: C49 H60 Au3 Cl6 F3 N12 O3 S
• Calculated formula: C49 H60 Au3 Cl6 F3 N12 O3 S
• SMILES: [Au](Cl)(Cl)([n]1ccc(cc1)N(C)C)=C1N(c2ccccc2N1C)C.[Au](Cl)(Cl)([n]1ccc(cc1)N(C)C)=C1N(c2c(N1C)cccc2)C.[Au](Cl)(Cl)([n]1ccc(N(C)C)cc1)=C1N(c2c(N1C)cccc2)C.S(=O)(=O)(C(F)(F)F)[O-]
• 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: 18.626 ± 0.004 Å
• b: 22.161 ± 0.004 Å
• c: 18.053 ± 0.004 Å
• α: 90°
• β: 109.19 ± 0.03°
• γ: 90°
• Cell volume: 7038 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.0626
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No