Information card for entry 7218291

Structure parameters

• Formula: C90 H62 Cd2 N2 O20
• Calculated formula: C90 H62 Cd2 N2 O20
• SMILES: N(C)(C)C=[O][Cd]123([O]=C(c4cccc(c4)c4cccc5c4C(=O)c4c(C5=O)cccc4)O2)([O]=C([O]1[Cd]12([O]=C(c4cccc(c4)c4cccc5c4C(=O)c4c(C5=O)cccc4)O1)([O]=C([O]32)c1cccc(c1)c1cccc2c1C(=O)c1c(C2=O)cccc1)([O]=CN(C)C)[OH2])c1cccc(c1)c1c2C(=O)c3c(cccc3)C(=O)c2ccc1)[OH2]
• 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: 8.0107 ± 0.0019 Å
• b: 14.519 ± 0.004 Å
• c: 17.487 ± 0.004 Å
• α: 109.295 ± 0.003°
• β: 97.629 ± 0.003°
• γ: 103.764 ± 0.003°
• Cell volume: 1814.3 ± 0.8 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: 0.0649
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.1506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No