Information card for entry 7709694

Structure parameters

• Formula: C16 H7 Au F9 N O4
• Calculated formula: C16 H7 Au F9 N O4
• SMILES: [Au]1(c2c(c3[n]1cccc3)ccc(c2)C(F)(F)F)(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: 7.9194 ± 0.0007 Å
• b: 22.7352 ± 0.0019 Å
• c: 9.8659 ± 0.0008 Å
• α: 90°
• β: 100.171 ± 0.002°
• γ: 90°
• Cell volume: 1748.4 ± 0.3 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: 0.0285
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections included in the refinement: 0.0502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No