Information card for entry 7003950

Structure parameters

• Formula: C14 H20 Cl4 Cu N8 O8
• Calculated formula: C14 H20 Cl4 Cu N8 O8
• SMILES: c1c(ccc2c3ccc(c[n]3[Cu]([n]12)(Cl)Cl)CNC(=[NH2+])N)CNC(=[NH2+])N.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Double-strand DNA cleavage by copper complexes of 2,2′-dipyridyl with guanidinium/ammonium pendants
• Authors of publication: He, Juan; Hu, Ping; Wang, Yu-Jia; Tong, Ming-Liang; Sun, Hongzhe; Mao, Zong-Wan; Ji, Liang-Nian
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 24
• Pages of publication: 3207 - 3214
• a: 17.202 ± 0.003 Å
• b: 8.9681 ± 0.0013 Å
• c: 15.145 ± 0.002 Å
• α: 90°
• β: 92.609 ± 0.003°
• γ: 90°
• Cell volume: 2334 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No