Information card for entry 4104625

Structure parameters

• Formula: C53 H45 Au2 Cl6 F12 N6 P2
• Calculated formula: C53 H45 Au2 Cl6 F12 N6 P2
• SMILES: C1(N(C)C=CN1Cc1cc(CN2C(N(C=C2)C)=[Au]23c4c(c5cccc(c6c2cccc6)[n]35)cccc4)ccc1)=[Au]12c3ccccc3c3cccc(c4c1cccc4)[n]23.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.[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: 14.371 ± 0.003 Å
• b: 15.173 ± 0.003 Å
• c: 16.517 ± 0.003 Å
• α: 99.31 ± 0.02°
• β: 106.95 ± 0.02°
• γ: 113.94 ± 0.02°
• Cell volume: 2982.8 ± 1.4 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 7
• 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: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No