Information card for entry 4317307

Structure parameters

• Chemical name: Bis(pentafluorophenyl)-(2-(2'-thienyl)pyridine)-gold(III) pentane solvate
• Formula: C47 H24 Au2 F20 N2 S2
• Calculated formula: C47 H24 Au2 F20 N2 S2
• 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: 13.5299 ± 0.0002 Å
• b: 7.0529 ± 0.0001 Å
• c: 24.4528 ± 0.0004 Å
• α: 90°
• β: 94.083 ± 0.001°
• γ: 90°
• Cell volume: 2327.49 ± 0.06 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.0674
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No