Information card for entry 7218293

Structure parameters

• Formula: C94 H70 Cu2 N2 O20
• Calculated formula: C94 H70 Cu2 N2 O20
• SMILES: N(C)(C)C=O.C(C)[OH][Cu]1234[O]=C(c5ccc(cc5)c5cccc6c5C(=O)c5c(C6=O)cccc5)O[Cu]4([O]=C(c4ccc(cc4)c4cccc5c4C(=O)c4c(C5=O)cccc4)O1)([O]=C(O3)c1ccc(cc1)c1cccc3C(=O)c4ccccc4C(=O)c13)(OC(=[O]2)c1ccc(cc1)c1cccc2C(=O)c3ccccc3C(=O)c12)[OH]CC.N(C)(C)C=O
• Title of publication: Dinuclear Cd(ii), Mn(ii) and Cu(ii) complexes derived from (anthraquinone-1-diyl) benzoate: DNA binding and cleavage studies
• Authors of publication: Liu, Lin; Zhang, Gong-Ming; Zhu, Ru-Gang; Liu, Yong-Hui; Yao, Hui-Meng; Han, Zheng-Bo
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 87
• Pages of publication: 46639
• a: 11.554 ± 0.009 Å
• b: 12.053 ± 0.009 Å
• c: 15.546 ± 0.011 Å
• α: 75.142 ± 0.009°
• β: 71.824 ± 0.008°
• γ: 86.856 ± 0.009°
• Cell volume: 1987 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0492
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No