Information card for entry 7120546

Structure parameters

• Formula: C11 H10 F6 N O2 P Ru
• Calculated formula: C11 H10 F6 N O2 P Ru
• SMILES: [Ru]123456789([cH]%10[cH]4[cH]3[cH]2[cH]1%10)[c]1(N(=O)=O)[cH]5[cH]6[cH]7[cH]8[cH]91.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Nucleophilic Trifluoromethylation of Electron-Deficient Arenes
• Authors of publication: Pike, Jack A.; Walton, James William
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 8.1716 ± 0.00016 Å
• b: 12.4722 ± 0.0002 Å
• c: 13.2874 ± 0.0003 Å
• α: 90°
• β: 91.5709 ± 0.0018°
• γ: 90°
• Cell volume: 1353.71 ± 0.05 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No