Information card for entry 7030193

Structure parameters

• Formula: C31 H35 Cl2 N5 O2
• Calculated formula: C31 H35 Cl2 N5 O2
• SMILES: [Cl-].[Cl-].O.O.[nH+]1ccccc1CN(Cc1ncccc1)c1ccc(cc1)Cc1ccc(NCc2[nH+]cccc2)cc1
• 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: 14.573 ± 0.01 Å
• b: 11.493 ± 0.008 Å
• c: 17.074 ± 0.013 Å
• α: 90°
• β: 97.932 ± 0.014°
• γ: 90°
• Cell volume: 2832 ± 4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1206
• Residual factor for significantly intense reflections: 0.0882
• Weighted residual factors for significantly intense reflections: 0.1718
• Weighted residual factors for all reflections included in the refinement: 0.1884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No