Information card for entry 7031331

Structure parameters

• Chemical name: aqua[2-(pyridin-2-yl-κ<i>N</i>)phenyl-κ<i>C</i>^1^][2,4,6-tris(trifluoromethyl)phenyl]gold(+) trifluoromethanesulfonate(-)
• Formula: C21 H12 Au F12 N O4 S
• Calculated formula: C21 H12 Au F12 N O4 S
• SMILES: c12[Au](c3c(cc(cc3C(F)(F)F)C(F)(F)F)C(F)(F)F)([n]3c(c2cccc1)cccc3)[OH2].C(F)(F)(F)S(=O)(=O)[O-]
• 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: 8.3536 ± 0.0002 Å
• b: 12.4389 ± 0.0003 Å
• c: 12.5317 ± 0.0003 Å
• α: 76.432 ± 0.002°
• β: 88.908 ± 0.002°
• γ: 81.078 ± 0.002°
• Cell volume: 1250.3 ± 0.05 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.0361
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No