Information card for entry 7219970

Structure parameters

• Formula: C37 H29 Cl2 N7 Ni O5
• Calculated formula: C37 H29 Cl2 N7 Ni O5
• SMILES: [Ni]123(Cl)([n]4cccc5c4c4[n]1cccc4c1nc4ccccc4nc51)[n]1ccccc1C[N]2(c1ccc(C)cc1)Cc1[n]3cccc1.Cl(=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: 7.5063 ± 0.0015 Å
• b: 22.913 ± 0.005 Å
• c: 20.75 ± 0.004 Å
• α: 90°
• β: 92.9 ± 0.03°
• γ: 90°
• Cell volume: 3564.3 ± 1.3 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: 0.0777
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1753
• Weighted residual factors for all reflections included in the refinement: 0.1897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No