Information card for entry 1565689

Structure parameters

• Formula: C32 H30 Br2 Cu2 N6 O12
• Calculated formula: C32 H30 Br2 Cu2 N6 O12
• SMILES: c1ccccc1C1N[N]2=Cc3cc(Br)ccc3[O]3[Cu]2([O]=1)([OH]CC)[O]1c2c(C=[N]4[Cu]31([O]=C(N4)c1ccccc1)[OH]CC)cc(Br)cc2.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Binuclear Schiff base copper(II) complexes: Syntheses, crystal structures, HSA interaction and anti-cancer properties
• Authors of publication: Jiang, Shengshi; Ni, Honghui; Liu, Fen; Gu, Shanshan; Yu, Ping; Gou, Yi
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 499
• Pages of publication: 119186
• a: 9.4084 ± 0.0014 Å
• b: 14.848 ± 0.002 Å
• c: 13.645 ± 0.002 Å
• α: 90°
• β: 106.503 ± 0.002°
• γ: 90°
• Cell volume: 1827.6 ± 0.5 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No