Information card for entry 4109282

Structure parameters

• Formula: C25 H15 Au Cl N
• Calculated formula: C25 H15 Au Cl N
• SMILES: [Au]12(c3c(c4[n]1c(c1c2cccc1)ccc4)cccc3)C#Cc1ccc(Cl)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: 7.459 ± 0.0015 Å
• b: 9.641 ± 0.0019 Å
• c: 14.086 ± 0.003 Å
• α: 106.07 ± 0.03°
• β: 97.74 ± 0.03°
• γ: 94.98 ± 0.03°
• Cell volume: 956.3 ± 0.4 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No