Information card for entry 7054089

Structure parameters

• Formula: C21 H24 Cu2 N6 O8
• Calculated formula: C21 H24 Cu2 N6 O8
• SMILES: [Cu]123Oc4c(N1C1C(=[O][Cu]5([O]=1)([OH2])[n]1ccccc1c1cccc[n]51)N2CCC[NH2]3)cccc4.N(=O)(=O)[O-].O
• Title of publication: Syntheses and structures of new dicopper(ii) complexes bridged by N-(2-hydroxyphenyl)-N′-(3-aminopropyl)oxamide: DNA-binding properties and cytotoxic activities
• Authors of publication: He, Fang-Hong; Tao, Lin; Li, Xiao-Wen; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei
• Journal of publication: New Journal of Chemistry
• Year of publication: 2012
• Journal volume: 36
• Journal issue: 10
• Pages of publication: 2078
• a: 23.6799 ± 0.0004 Å
• b: 9.7018 ± 0.0002 Å
• c: 10.2777 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2361.17 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.087
• 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