Information card for entry 7028533

Structure parameters

• Formula: C21 H15 Cl2 Cu N3
• Calculated formula: C21 H15 Cl2 Cu N3
• SMILES: c1cccc2[n]1[Cu]1([n]3ccccc3c3cc(cc2[n]13)c1ccccc1)(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: 9.7921 ± 0.0008 Å
• b: 13.3622 ± 0.0005 Å
• c: 15.653 ± 0.0003 Å
• α: 102.603 ± 0.002°
• β: 93.497 ± 0.003°
• γ: 104.137 ± 0.002°
• Cell volume: 1924.03 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No