Information card for entry 7059715

Structure parameters

• Common name: SA_30
• Chemical name: SA_30
• Formula: C27 H38 Cl2 Cu N2 O3
• Calculated formula: C27 H38 Cl2 Cu N2 O3
• SMILES: c12c(cc(c(c1C[N]1(COC)CC(C)[NH]3Cc4c(c(cc(c4C)Cl)C(C)C)O[Cu]13O2)C)Cl)C(C)C
• Title of publication: Unusual chemistry of Cu(ii) salan complexes: synthesis, characterization and superoxide dismutase activity
• Authors of publication: Roy, Satabdi; Banerjee, Atanu; Lima, Sudhir; Horn Jr, Adolfo; Sampaio, Raquel M. S. N.; Ribeiro, Nádia; Correia, Isabel; Avecilla, Fernando; Carvalho, M. Fernanda N. N.; Kuznetsov, Maxim L.; Pessoa, João Costa; Kaminsky, Werner; Dinda, Rupam
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 27
• Pages of publication: 11457 - 11470
• a: 15.048 ± 0.002 Å
• b: 21.675 ± 0.003 Å
• c: 16.615 ± 0.002 Å
• α: 90°
• β: 93.091 ± 0.008°
• γ: 90°
• Cell volume: 5411.4 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1662
• Residual factor for significantly intense reflections: 0.0875
• Weighted residual factors for significantly intense reflections: 0.2096
• Weighted residual factors for all reflections included in the refinement: 0.2579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No