Information card for entry 4325375

Structure parameters

• Chemical name: Bis(4-fluorophenylethynyl)[2-(2'-thienyl)pyridine]gold(III)
• Formula: C25 H14 Au F2 S n
• Calculated formula: C25 H14 Au F2 N S
• SMILES: [n]12ccccc1c1c([Au]2(C#Cc2ccc(cc2)F)C#Cc2ccc(cc2)F)ccs1
• Title of publication: Syntheses and Photophysical Properties of Luminescent Mono-cyclometalated Gold(III) cis-Dialkynyl Complexes
• Authors of publication: Jai Anand Garg; Olivier Blacque; Koushik Venkatesan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 5430 - 5441
• a: 10.2423 ± 0.0002 Å
• b: 13.9037 ± 0.0002 Å
• c: 15.1281 ± 0.0002 Å
• α: 98.309 ± 0.001°
• β: 103.044 ± 0.001°
• γ: 95.233 ± 0.001°
• Cell volume: 2059.51 ± 0.06 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0536
• Weighted residual factors for all reflections included in the refinement: 0.0547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No