Information card for entry 7709699

Structure parameters

• Formula: C18 H14 Au Cl2 F6 N O5
• Calculated formula: C18 H14 Au Cl2 F6 N O5
• SMILES: [Au]1(c2c(c3[n]1c(OC)ccc3)ccc(c2)C)(OC(=O)C(F)(F)F)OC(=O)C(F)(F)F.ClCCl
• 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: 9.3498 ± 0.0006 Å
• b: 10.7363 ± 0.0007 Å
• c: 10.9287 ± 0.0007 Å
• α: 91.934 ± 0.001°
• β: 93.962 ± 0.001°
• γ: 98.824 ± 0.001°
• Cell volume: 1080.38 ± 0.12 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0208
• Residual factor for significantly intense reflections: 0.0175
• Weighted residual factors for significantly intense reflections: 0.0383
• Weighted residual factors for all reflections included in the refinement: 0.0391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No