Information card for entry 7031336

Structure parameters

• Chemical name: [2-(pyridin-2-yl-κ<i>N</i>)phenyl-κ<i>C</i>^1^](triphenylphosphane)[2,4,6-tris(trifluoromethyl)phenyl]gold(+) trifluoromethanesulfonate(-) dichloromethane solvate 1/1/1
• Formula: C40 H27 Au Cl2 F12 N O3 P S
• Calculated formula: C40 H27 Au Cl2 F12 N O3 P S
• SMILES: c1cccc2c3ccccc3[Au](c3c(cc(cc3C(F)(F)F)C(F)(F)F)C(F)(F)F)([n]12)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(F)(F)(F)S(=O)(=O)[O-].C(Cl)Cl
• Title of publication: Luminescent monocyclometalated cationic gold(iii) complexes: synthesis, photophysical characterization and catalytic investigations.
• Authors of publication: Zehnder, Thomas N.; Blacque, Olivier; Venkatesan, Koushik
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 31
• Pages of publication: 11959 - 11972
• a: 15.2693 ± 0.0004 Å
• b: 17.8363 ± 0.0003 Å
• c: 16.5578 ± 0.0004 Å
• α: 90°
• β: 114.62 ± 0.003°
• γ: 90°
• Cell volume: 4099.53 ± 0.19 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 9
• 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: 0.0333
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0613
• Weighted residual factors for all reflections included in the refinement: 0.0647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No