Information card for entry 4104621

Structure parameters

• Formula: C44 H36 Au2 F12 N6 P2
• Calculated formula: C44 H36 Au2 F12 N6 P2
• SMILES: c12[Au]3([n]4c(c2cccc1)cccc4c1c3cccc1)=C1N(C)C=CN1CCN1C(N(C)C=C1)=[Au]12c3c(c4[n]2c(c2c1cccc2)ccc4)cccc3.[P](F)(F)(F)(F)(F)[F-].[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: 20.382 ± 0.004 Å
• b: 13.797 ± 0.003 Å
• c: 17.645 ± 0.003 Å
• α: 90°
• β: 115.82 ± 0.03°
• γ: 90°
• Cell volume: 4466.6 ± 1.9 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 6
• 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: 0.0572
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1141
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No