Information card for entry 7029761

Structure parameters

• Formula: C34 H32 Cl4 Cu N6 O2
• Calculated formula: C34 H32 Cl4 Cu N6 O2
• SMILES: [Cu]([n]1c(cn(n1)Cc1ccc(cc1)Cl)COCc1ccccc1)([n]1c(cn(n1)Cc1ccc(cc1)Cl)COCc1ccccc1)(Cl)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: 7.2326 ± 0.0003 Å
• b: 8.3664 ± 0.0004 Å
• c: 15.0156 ± 0.0005 Å
• α: 97.304 ± 0.003°
• β: 102.771 ± 0.003°
• γ: 98.187 ± 0.003°
• Cell volume: 865.18 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0451
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No