Information card for entry 7033951

Structure parameters

• Formula: C11 H7 Au Cl3 F2 N
• Calculated formula: C11 H7 Au Cl3 F2 N
• SMILES: [Au](Cl)(Cl)(Cl)[n]1ccccc1c1c(F)cc(cc1)F
• Title of publication: Cyclometallated gold(iii) aryl-pyridine complexes as efficient catalysts for three-component synthesis of substituted oxazoles.
• Authors of publication: von Wachenfeldt, Henrik; Polukeev, Alexey V.; Loganathan, Nagarajan; Paulsen, Filip; Röse, Philipp; Garreau, Marion; Wendt, Ola F.; Strand, Daniel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 12
• Pages of publication: 5347 - 5353
• a: 13.139 ± 0.004 Å
• b: 7.796 ± 0.006 Å
• c: 13.139 ± 0.003 Å
• α: 90°
• β: 100.44 ± 0.011°
• γ: 90°
• Cell volume: 1323.6 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0354
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No