Information card for entry 7004285

Structure parameters

• Formula: C11 H6 Cu0.5 F3 N2 O
• Calculated formula: C11 H6 Cu0.5 F3 N2 O
• 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: 10.2689 ± 0.0004 Å
• b: 10.2371 ± 0.0004 Å
• c: 21.4894 ± 0.001 Å
• α: 90°
• β: 92.757 ± 0.002°
• γ: 90°
• Cell volume: 2256.43 ± 0.16 ų
• Cell temperature: 290 K
• Ambient diffraction temperature: 290 K
• Number of distinct elements: 6
• 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: 0.1045
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for all reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.0493
• Weighted residual factors for all reflections included in the refinement: 0.0459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1652
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No