Information card for entry 7219968

Structure parameters

• Formula: C31 H27 Cl2 N5 Ni O7
• Calculated formula: C31 H27 Cl2 N5 Ni O7
• SMILES: [Ni]123(Cl)([n]4cccc5ccc6ccc[n]1c6c45)[n]1c(C[N]2(c2ccc(C)cc2)Cc2[n]3cccc2)cccc1.Cl(=O)(=O)(=O)[O-].O.O.O
• Title of publication: Four related Mixed-Ligand Nickel(II) Complexes: Effect of Steric Encumbrance on the Structure, DNA/BSA binding, DNA cleavage and Cytotoxicity
• Authors of publication: Gao, Chun-Yan; Ma, Zhong-Ying; Zhang, Yong-Po; Li, Si-Tong; Gu, Wen; Liu, Xin; Tian, Jin-Lei; Xu, Jing-Yuan; Zhao, Jin-Zhong; Yan, Shi-Ping
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 7.6563 ± 0.0003 Å
• b: 35.238 ± 0.0017 Å
• c: 12.7241 ± 0.0008 Å
• α: 90°
• β: 110.532 ± 0.004°
• γ: 90°
• Cell volume: 3214.8 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0827
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No