Information card for entry 7059713

Structure parameters

• Common name: SA_35
• Chemical name: SA_35
• Formula: C28 H42 Cl2 Cu N2 O3 S
• Calculated formula: C28 H42 Cl2 Cu N2 O3 S
• 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: 13.4263 ± 0.0011 Å
• b: 10.4815 ± 0.0007 Å
• c: 22.0703 ± 0.0019 Å
• α: 90°
• β: 88.723 ± 0.002°
• γ: 90°
• Cell volume: 3105.1 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2172
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.1841
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No