Information card for entry 4109285

Structure parameters

• Formula: C25 H24 Au N
• Calculated formula: C25 H24 Au N
• SMILES: [Au]12(c3ccccc3c3[n]1c(ccc3)c1ccccc21)C#CCCCCCC
• 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: 8.282 ± 0.0017 Å
• b: 9.029 ± 0.0018 Å
• c: 13.87 ± 0.003 Å
• α: 84.67 ± 0.03°
• β: 81.18 ± 0.03°
• γ: 84.33 ± 0.03°
• Cell volume: 1016.7 ± 0.4 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No