Information card for entry 4109286

Structure parameters

• Formula: C33 H32 Au N
• Calculated formula: C33 H32 Au N
• SMILES: C(#Cc1ccccc1)[Au]12c3cc(ccc3c3[n]2c(c2c1cc(cc2)C(C)(C)C)ccc3)C(C)(C)C
• 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: 19.335 ± 0.004 Å
• b: 19.732 ± 0.004 Å
• c: 7.172 ± 0.0014 Å
• α: 90°
• β: 99.76 ± 0.03°
• γ: 90°
• Cell volume: 2696.6 ± 1 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0558
• Weighted residual factors for all reflections included in the refinement: 0.0572
• Goodness-of-fit parameter for all reflections included in the refinement: 0.901
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No