Information card for entry 7028532

Structure parameters

• Formula: C26 H23 Cl2 Cu N3 O4
• Calculated formula: C26 H23 Cl2 Cu N3 O4
• SMILES: c1cccc2c3cc(cc4c5cccc[n]5[Cu]([n]12)([n]34)(OC(=O)C)OC(=O)C)c1ccccc1.C(Cl)Cl
• 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: 8.0783 ± 0.0003 Å
• b: 11.2416 ± 0.0003 Å
• c: 14.5084 ± 0.0005 Å
• α: 76.347 ± 0.002°
• β: 89.396 ± 0.003°
• γ: 76.328 ± 0.002°
• Cell volume: 1242.61 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.06
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1371
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No