Information card for entry 7229006

Structure parameters

• Formula: C53 H50 N6 Ni O5
• Calculated formula: C53 H50 N6 Ni O5
• SMILES: C1(c2ccccc2)=N[N](=C(C)c2cc3c(cc2)cccc3)[Ni]23([N](=C(C)c4cc5c(cc4)cccc5)N=C(c4ccccc4)O3)([n]3cccc4c3c3c(cc4)ccc[n]23)O1.CO.CO.CO
• Title of publication: Ni(ii) and Co(ii) complexes of an asymmetrical aroylhydrazone: synthesis, molecular structures, DNA binding, protein interaction, radical scavenging and cytotoxic activity
• Authors of publication: Li, Yueqin; Yang, Zhiwei; Zhou, Minya; Li, Yun; He, Jing; Wang, Xuehong; Lin, Zhengfeng
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 66
• Pages of publication: 41527
• a: 10.334 ± 0.002 Å
• b: 15.835 ± 0.003 Å
• c: 28.718 ± 0.006 Å
• α: 90°
• β: 103.504 ± 0.006°
• γ: 90°
• Cell volume: 4569.5 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0597
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1281
• 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