Information card for entry 4325376

Structure parameters

• Chemical name: Bis(phenylethynyl)[2-(2'-pyridyl)phenyl]gold(III)
• Formula: C27 H18 Au n
• Calculated formula: C27 H18 Au N
• SMILES: c12[Au](C#Cc3ccccc3)(C#Cc3ccccc3)[n]3c(c2cccc1)cccc3
• 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: 10.4792 ± 0.0002 Å
• b: 18.0604 ± 0.0002 Å
• c: 11.6604 ± 0.0002 Å
• α: 90°
• β: 109.518 ± 0.002°
• γ: 90°
• Cell volume: 2080.02 ± 0.06 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 4
• 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: 0.0312
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0446
• Weighted residual factors for all reflections included in the refinement: 0.0459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No