Information card for entry 4325379

Structure parameters

• Chemical name: Bis(4-fluorophenylethynyl)[2-(2'-(5-methylthienyl)pyridine]gold(III) dichloromethane solvate
• Formula: C53 H34 Au2 Cl2 F4 S2 n2
• Calculated formula: C53 H34 Au2 Cl2 F4 N2 S2
• SMILES: [n]12ccccc1c1c([Au]2(C#Cc2ccc(cc2)F)C#Cc2ccc(cc2)F)cc(s1)C.C(Cl)Cl
• 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: 12.1145 ± 0.0001 Å
• b: 17.9931 ± 0.0001 Å
• c: 22.1153 ± 0.0002 Å
• α: 90°
• β: 99.232 ± 0.001°
• γ: 90°
• Cell volume: 4758.19 ± 0.07 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 7
• 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: 0.0405
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0401
• Weighted residual factors for all reflections included in the refinement: 0.0416
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No