Information card for entry 7709705

Structure parameters

• Formula: C27 H6 Au F16 N O4
• Calculated formula: C27 H6 Au F16 N O4
• SMILES: [Au]1(c2c(c3[n]1cccc3)cc(cc2c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)(OC(=O)C(F)(F)F)OC(=O)C(F)(F)F
• Title of publication: Synthesis of substituted (N,C) and (N,C,C) Au(iii) complexes: the influence of sterics and electronics on cyclometalation reactions
• Authors of publication: Hylland, Knut T.; Schmidtke, Inga L.; Wragg, David S.; Nova, Ainara; Tilset, Mats
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 8.0544 ± 0.0003 Å
• b: 12.1925 ± 0.0006 Å
• c: 15.7587 ± 0.0007 Å
• α: 86.998 ± 0.004°
• β: 82.48 ± 0.003°
• γ: 73.2 ± 0.003°
• Cell volume: 1468.59 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1343
• Weighted residual factors for all reflections included in the refinement: 0.1434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No