Information card for entry 4317306

Structure parameters

• Chemical name: Bis(phenyl)-(2-(2'-thienyl)pyridine)-gold(III)
• Formula: C21 H16 Au N S
• Calculated formula: C21 H16 Au N S
• SMILES: c1cccc2c3c([Au](c4ccccc4)(c4ccccc4)[n]12)ccs3
• Title of publication: Stable and Tunable Phosphorescent Neutral Cyclometalated Au(III) Diaryl Complexes
• Authors of publication: Jai Anand Garg; Olivier Blacque; Thomas Fox; Koushik Venkatesan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 11463 - 11472
• a: 7.1806 ± 0.0003 Å
• b: 10.0899 ± 0.0007 Å
• c: 12.5115 ± 0.0007 Å
• α: 73.057 ± 0.005°
• β: 80.072 ± 0.004°
• γ: 80.953 ± 0.005°
• Cell volume: 848.62 ± 0.09 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.0301
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0413
• Weighted residual factors for all reflections included in the refinement: 0.042
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No