Information card for entry 7229385

Structure parameters

• Formula: C52 H41 N7 Ni O4
• Calculated formula: C52 H41 N7 Ni O4
• SMILES: [Ni]123(OC(=N[N]1=C(C)c1ccc4c(c1)cccc4)c1c(O)cccc1)(OC(=N[N]2=C(C)c1cc2c(cc1)cccc2)c1ccccc1O)[n]1cccc2c1c1[n]3cccc1cc2.N#CC
• Title of publication: Synthesis and crystal structure of new monometallic Ni(ii) and Co(ii) complexes with an asymmetrical aroylhydrazone: effects of the complexes on DNA/protein binding property, molecular docking, and in vitro anticancer activity
• Authors of publication: Li, Yueqin; Yang, Zhiwei; Zhou, Minya; Li, Yun
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 78
• Pages of publication: 49404
• a: 10.252 ± 0.005 Å
• b: 23.344 ± 0.011 Å
• c: 19.134 ± 0.009 Å
• α: 90°
• β: 103.243 ± 0.006°
• γ: 90°
• Cell volume: 4457 ± 4 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.1882
• Residual factor for significantly intense reflections: 0.1038
• Weighted residual factors for significantly intense reflections: 0.2644
• Weighted residual factors for all reflections included in the refinement: 0.3059
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No