Information card for entry 7709695

Structure parameters

• Formula: C17 H12 Au F6 N O4
• Calculated formula: C17 H12 Au F6 N O4
• SMILES: [Au]1(c2c(c3[n]1cccc3)cc(cc2C)C)(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: 10.349 ± 0.003 Å
• b: 19.446 ± 0.005 Å
• c: 9.02 ± 0.003 Å
• α: 90°
• β: 104.225 ± 0.008°
• γ: 90°
• Cell volume: 1759.6 ± 0.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0201
• Residual factor for significantly intense reflections: 0.0178
• Weighted residual factors for significantly intense reflections: 0.0393
• Weighted residual factors for all reflections included in the refinement: 0.0398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.192
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No