Information card for entry 7059714

Structure parameters

• Common name: sa_34
• Chemical name: sa_34
• Formula: C29 H44 Cu N O3
• Calculated formula: C29 H44 Cu N2 O3
• SMILES: c12c(cc(cc1C[NH]1C(C[N]3(Cc4c(c(cc(c4)C)C(C)(C)C)O[Cu]13O2)COC)C)C)C(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: 9.9131 ± 0.0011 Å
• b: 12.5169 ± 0.0014 Å
• c: 12.6036 ± 0.0013 Å
• α: 66.017 ± 0.005°
• β: 84.101 ± 0.006°
• γ: 79.497 ± 0.006°
• Cell volume: 1404.2 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.1367
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1368
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No