Information card for entry 4109283

Structure parameters

• Formula: C25 H15 Au N2 O2
• Calculated formula: C25 H15 Au N2 O2
• SMILES: [Au]12(c3c(c4[n]1c(c1c2cccc1)ccc4)cccc3)C#Cc1ccc(N(=O)=O)cc1
• Title of publication: A Class of Luminescent Cyclometalated Alkynylgold(III) Complexes: Synthesis, Characterization, and Electrochemical, Photophysical, and Computational Studies of [Au(C^N^C)(C\τbCR)] (C^N^C = κ3C,N,C Bis-cyclometalated 2,6-Diphenylpyridyl)
• Authors of publication: Keith Man-Chung Wong; Ling-Ling Hung; Wai Han Lam; Nianyong Zhu; Vivian Wing-Wah Yam
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 4350 - 4365
• a: 5.1 ± 0.001 Å
• b: 15.197 ± 0.003 Å
• c: 25.241 ± 0.005 Å
• α: 90°
• β: 95.58 ± 0.03°
• γ: 90°
• Cell volume: 1947 ± 0.7 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 2 K
• Number of distinct elements: 5
• 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: 0.0571
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No