Information card for entry 7033948

Structure parameters

• Formula: C12 H10 Au Cl2 N
• Calculated formula: C12 H10 Au Cl2 N
• SMILES: [Au]1(Cl)(Cl)[n]2ccccc2Cc2ccccc12
• 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: 8.0841 ± 0.0005 Å
• b: 8.5351 ± 0.0004 Å
• c: 17.4924 ± 0.0011 Å
• α: 90°
• β: 91.388 ± 0.006°
• γ: 90°
• Cell volume: 1206.6 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0905
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.1866
• Weighted residual factors for all reflections included in the refinement: 0.1939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No