Information card for entry 7709697

Structure parameters

• Formula: C17 H12 Au F6 N O5
• Calculated formula: C17 H12 Au F6 N O5
• SMILES: [Au]1(c2cc(ccc2c2[n]1cccc2OC)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: 9.207 ± 0.001 Å
• b: 9.8687 ± 0.001 Å
• c: 11.0143 ± 0.0012 Å
• α: 81.49 ± 0.002°
• β: 67.125 ± 0.002°
• γ: 83.432 ± 0.002°
• Cell volume: 910.14 ± 0.17 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: 0.0232
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.0412
• Weighted residual factors for all reflections included in the refinement: 0.0422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No