Information card for entry 7218292

Structure parameters

• Formula: C90 H62 Mn2 N2 O20
• Calculated formula: C90 H62 Mn2 N2 O20
• SMILES: N(C=[O][Mn]12([O]=C(c3cccc(c3)c3cccc4c3C(=O)c3c(C4=O)cccc3)O1)([O]=C(O[Mn]1([O]=C(c3cccc(c3)c3cccc4c3C(=O)c3c(C4=O)cccc3)O1)([O]=C(O2)c1cccc(c1)c1cccc2c1C(=O)c1c(C2=O)cccc1)([O]=CN(C)C)[OH2])c1cccc(c1)c1c2C(=O)c3c(cccc3)C(=O)c2ccc1)[OH2])(C)C
• 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: 8.012 ± 0.006 Å
• b: 14.559 ± 0.014 Å
• c: 17.184 ± 0.014 Å
• α: 108.545 ± 0.012°
• β: 97.46 ± 0.009°
• γ: 103.804 ± 0.009°
• Cell volume: 1799 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0891
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.1899
• Weighted residual factors for all reflections included in the refinement: 0.2085
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No