Information card for entry 4317302

Structure parameters

• Chemical name: 2,2'-Biphenyl-(2-(2'-pyridyl)phenyl)-gold(III)
• Formula: C23 H16 Au N
• Calculated formula: C23 H16 Au N
• SMILES: c12[Au]3(c4ccccc4c4ccccc34)[n]3c(c2cccc1)cccc3
• 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: 12.933 ± 0.0001 Å
• b: 7.2609 ± 0.0001 Å
• c: 17.8058 ± 0.0002 Å
• α: 90°
• β: 99.795 ± 0.001°
• γ: 90°
• Cell volume: 1647.68 ± 0.03 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0209
• Weighted residual factors for significantly intense reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.0432
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No