Information card for entry 4329686

Structure parameters

• Formula: C27 H22 Au F6 N2 P
• Calculated formula: C27 H22 Au F6 N2 P
• SMILES: [Au]12([n]3c(c4[n]1cccc4)cccc3c1ccc(cc21)C)C#Cc1ccc(cc1)CC.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Luminescent Cyclometalated Alkynylgold(III) Complexes with 6-Phenyl-2,2'-Bipyridine Derivatives: Synthesis, Characterization, Electrochemistry, Photophysics, and Computational Studies
• Authors of publication: Vonika Ka-Man Au; Wai Han Lam; Wing-Tak Wong; Vivian Wing-Wah Yam
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 7537 - 7545
• a: 7.8064 ± 0.0011 Å
• b: 14.564 ± 0.002 Å
• c: 22.853 ± 0.003 Å
• α: 90°
• β: 99.29 ± 0.002°
• γ: 90°
• Cell volume: 2564.1 ± 0.6 ų
• Cell temperature: 302 ± 2 K
• Ambient diffraction temperature: 302 ± 2 K
• Number of distinct elements: 6
• 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: 0.0544
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No