Information card for entry 7031335

Structure parameters

• Chemical name: (phosphite-κ<i>P</i>)[2-(pyridin-2-yl-κ<i>N</i>)phenyl-κ<i>C</i>^1^][2,4,6-tris(trifluoromethyl)phenyl]gold(+) trifluoromethanesulfonate(-) water solvate 2/2/1
• Formula: C48 H40 Au2 F24 N2 O13 P2 S2
• Calculated formula: C48 H40 Au2 F24 N2 O13 P2 S2
• 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: 8.5077 ± 0.0003 Å
• b: 13.2966 ± 0.0004 Å
• c: 14.1736 ± 0.0005 Å
• α: 75.678 ± 0.003°
• β: 76.534 ± 0.003°
• γ: 72.228 ± 0.003°
• Cell volume: 1457.72 ± 0.09 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.039
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No