Information card for entry 7033949

Structure parameters

• Formula: C12 H11 Au Cl3 N
• Calculated formula: C12 H11 Au Cl3 N
• SMILES: [Au](Cl)(Cl)(Cl)[n]1ccccc1Cc1ccccc1
• 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: 7.816 ± 0.005 Å
• b: 8.605 ± 0.005 Å
• c: 11.558 ± 0.005 Å
• α: 85.425 ± 0.005°
• β: 72.501 ± 0.005°
• γ: 71.714 ± 0.005°
• Cell volume: 703.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0195
• Residual factor for significantly intense reflections: 0.017
• Weighted residual factors for significantly intense reflections: 0.0414
• Weighted residual factors for all reflections included in the refinement: 0.0418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No