Information card for entry 7219969

Structure parameters

• Formula: C34 H31 Cl2 N7 Ni O5
• Calculated formula: C34 H31 Cl2 N7 Ni O5
• SMILES: [Ni]123(Cl)([n]4cccc5c4c4[n]1cccc4c1nccnc51)[n]1ccccc1C[N]2(Cc1[n]3cccc1)c1ccc(C)cc1.Cl(=O)(=O)(=O)[O-].OC
• 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: 7.542 ± 0.0015 Å
• b: 11.202 ± 0.002 Å
• c: 19.311 ± 0.004 Å
• α: 97.04 ± 0.03°
• β: 90.51 ± 0.03°
• γ: 90.79 ± 0.03°
• Cell volume: 1619 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1155
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.1533
• Weighted residual factors for all reflections included in the refinement: 0.1738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No