Information card for entry 4325380

Structure parameters

• Chemical name: Bis(3,4,5-trimethoxyphenylethynyl)[2-(2'-pyridyl)phenyl]gold(III)
• Formula: C55 H34 Au2 Cl2 F4 n2
• Calculated formula: C55 H34 Au2 Cl2 F4 N2
• SMILES: c12[Au](C#Cc3ccc(cc3)F)(C#Cc3ccc(cc3)F)[n]3c(c2cccc1)cccc3.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: 12.0324 ± 0.0002 Å
• b: 14.0679 ± 0.0003 Å
• c: 14.971 ± 0.0003 Å
• α: 77.398 ± 0.002°
• β: 71.229 ± 0.002°
• γ: 72.866 ± 0.002°
• Cell volume: 2271.46 ± 0.08 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: 0.0401
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0357
• Weighted residual factors for all reflections included in the refinement: 0.0369
• Goodness-of-fit parameter for all reflections included in the refinement: 0.847
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No