Information card for entry 7030191

Structure parameters

• Formula: C41 H40 Br4 N8 Zn2
• Calculated formula: C41 H40 Br4 N8 Zn2
• SMILES: [Zn]12(Br)(Br)[n]3ccccc3C[N]2(Cc2[n]1cccc2)c1ccc(cc1)Cc1ccc([N]23[Zn](Br)(Br)([n]4ccccc4C2)[n]2c(C3)cccc2)cc1.CC#N.CC#N
• 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: 8.5897 ± 0.0018 Å
• b: 18.367 ± 0.004 Å
• c: 27.736 ± 0.006 Å
• α: 90°
• β: 91.81 ± 0.004°
• γ: 90°
• Cell volume: 4373.6 ± 1.6 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: 0.0551
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No