Information card for entry 7030192

Structure parameters

• Formula: C41 H40 Cl4 N8 Zn2
• Calculated formula: C41 H40 Cl4 N8 Zn2
• SMILES: [Zn]12(Cl)(Cl)[n]3ccccc3C[N]1(Cc1[n]2cccc1)c1ccc(cc1)Cc1ccc([N]23[Zn](Cl)(Cl)([n]4c(C2)cccc4)[n]2c(C3)cccc2)cc1.N#CC.N#CC
• 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: 8.5044 ± 0.0017 Å
• b: 18.377 ± 0.004 Å
• c: 27.098 ± 0.005 Å
• α: 90°
• β: 90.98 ± 0.03°
• γ: 90°
• Cell volume: 4234.4 ± 1.5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No