Information card for entry 7039115

Structure parameters

• Formula: C18 H24 Cu N2 O5
• Calculated formula: C18 H24 Cu N2 O5
• SMILES: [Cu]12([N](=Cc3c(O1)ccc1ccccc31)CC[NH]2CC(O)C)OC(=O)C.O
• Title of publication: Mixed-ligand copper(ii) Schiff base complexes: the role of the co-ligand in DNA binding, DNA cleavage, protein binding and cytotoxicity.
• Authors of publication: Lian, Wen-Jing; Wang, Xin-Tian; Xie, Cheng-Zhi; Tian, He; Song, Xue-Qing; Pan, He-Ting; Qiao, Xin; Xu, Jing-Yuan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 22
• Pages of publication: 9073 - 9087
• a: 21.607 ± 0.004 Å
• b: 6.255 ± 0.0013 Å
• c: 26.077 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3524.4 ± 1.2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No