Information card for entry 7029763

Structure parameters

• Formula: C32 H28 Cl4 Cu N6 S2
• Calculated formula: C32 H28 Cl4 Cu N6 S2
• SMILES: C(n1n[n]2c(c1)C[S](c1ccccc1)[Cu]12([n]2c(cn(Cc3ccc(cc3)Cl)n2)C[S]1c1ccccc1)(Cl)Cl)c1ccc(cc1)Cl
• Title of publication: Copper(ii) complexes supported by click generated mixed NN, NO, and NS 1,2,3-triazole based ligands and their catalytic activity in azide-alkyne cycloaddition.
• Authors of publication: Mendoza-Espinosa, Daniel; Negrón-Silva, Guillermo Enrique; Angeles-Beltrán, Deyanira; Alvarez-Hernández, Alejandro; Suárez-Castillo, Oscar R; Santillán, Rosa
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 19
• Pages of publication: 7069 - 7077
• a: 31.1631 ± 0.001 Å
• b: 13.4153 ± 0.0005 Å
• c: 8.5786 ± 0.0003 Å
• α: 90°
• β: 101.437 ± 0.003°
• γ: 90°
• Cell volume: 3515.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2007
• Residual factor for significantly intense reflections: 0.1664
• Weighted residual factors for significantly intense reflections: 0.4696
• Weighted residual factors for all reflections included in the refinement: 0.4939
• Goodness-of-fit parameter for all reflections included in the refinement: 2.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No