Information card for entry 4104620

Structure parameters

• Formula: C39 H39 Au Cl2 F6 N3 P
• Calculated formula: C39 H39 Au Cl2 F6 N3 P
• SMILES: C1(=[Au]23c4c(c5cccc(c6c2cccc6)[n]35)cccc4)N(CCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.C(Cl)Cl.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Luminescent Cyclometalated N-Heterocyclic Carbene-Containing Organogold(III) Complexes: Synthesis, Characterization, Electrochemistry, and Photophysical Studies
• Authors of publication: Vonika Ka-Man Au; Keith Man-Chung Wong; Nianyong Zhu; Vivian Wing-Wah Yam
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 9076 - 9085
• a: 12.803 ± 0.003 Å
• b: 14.174 ± 0.003 Å
• c: 21.385 ± 0.004 Å
• α: 90°
• β: 92.98 ± 0.02°
• γ: 90°
• Cell volume: 3875.5 ± 1.4 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 7
• 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: 0.0526
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No