Information card for entry 7004286

Structure parameters

• Formula: C26 H16 Cu F6 N4 O2
• Calculated formula: C26 H16 Cu F6 N4 O2
• SMILES: [Cu]1234([n]5cccc6cccc(c56)[N]1=CC=C(C(F)(F)F)O2)[n]1cccc2cccc(c12)[N]3=CC=C(C(F)(F)F)O4
• Title of publication: Trifluoromethylated enaminones and their explorative coordination chemistry with Cu(ii): synthesis, redox properties and structural characterization of the complexes
• Authors of publication: Pilet, Guillaume; Tommasino, Jean-Bernard; Fenain, Fabrice; Matrak, Rita; Médebielle, Maurice
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 41
• Pages of publication: 5621 - 5626
• a: 12.0582 ± 0.0007 Å
• b: 16.326 ± 0.001 Å
• c: 20.279 ± 0.001 Å
• α: 68.198 ± 0.004°
• β: 80.075 ± 0.003°
• γ: 78.876 ± 0.004°
• Cell volume: 3614.7 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.1759
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for all reflections: 0.1206
• Weighted residual factors for significantly intense reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.0556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1551
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No