Information card for entry 7030190

Structure parameters

• Formula: C66 H72 Cl4 N10 O10 Zn2
• Calculated formula: C66 H72 Cl4 N10 O10 Zn2
• SMILES: c12[n](cccc2)[Zn]23([n]4ccccc4C[N]2(c2ccc(Cc4ccc(cc4)[NH2+]Cc4[n](cccc4)[Zn]45([n]6ccccc6C[N]4(c4ccc(Cc6ccc(cc6)[NH2+]Cc6[n]3cccc6)cc4)Cc3[n]5cccc3)Cl)cc2)C1)Cl.[O-]Cl(=O)(=O)=O.OCC.[O-]Cl(=O)(=O)=O.OCC
• Title of publication: Synthesis, characterization, DNA binding and cleavage, BSA interaction and anticancer activity of dinuclear zinc complexes.
• Authors of publication: Gao, Chun-Yan; Qiao, Xin; Ma, Zhong-Ying; Wang, Zhi-Gang; Lu, Jing; Tian, Jin-Lei; Xu, Jing-Yuan; Yan, Shi-Ping
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 39
• Pages of publication: 12220 - 12232
• a: 14.703 ± 0.003 Å
• b: 11.83 ± 0.002 Å
• c: 18.743 ± 0.004 Å
• α: 90°
• β: 97.16 ± 0.03°
• γ: 90°
• Cell volume: 3234.7 ± 1.1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1715
• Weighted residual factors for all reflections included in the refinement: 0.1797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No