Information card for entry 7028536

Structure parameters

• Formula: C22 H15 Cl Cu F3 N3 O3 S
• Calculated formula: C22 H15 Cl Cu F3 N3 O3 S
• SMILES: c1cccc2c3cc(cc4c5cccc[n]5[Cu]([n]12)([n]34)(OS(=O)(=O)C(F)(F)F)Cl)c1ccccc1
• Title of publication: Synthesis and characterization of copper(ii) 4'-phenyl-terpyridine compounds and catalytic application for aerobic oxidation of benzylic alcohols.
• Authors of publication: Ma, Zhen; Wei, Lijuan; Alegria, Elisabete C. B. A.; Martins, Luísa M D R S; Guedes da Silva, M Fátima C; Pombeiro, Armando J. L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 10
• Pages of publication: 4048 - 4058
• a: 7.5816 ± 0.0015 Å
• b: 12.192 ± 0.002 Å
• c: 20.344 ± 0.004 Å
• α: 90°
• β: 90.6 ± 0.03°
• γ: 90°
• Cell volume: 1880.4 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.0489
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No