Information card for entry 7709980

Structure parameters

• Formula: C32 H24 Cl4 N4 Ni O2
• Calculated formula: C32 H24 Cl4 N4 Ni O2
• SMILES: Clc1c2O[Ni]34([n]5c(c6[n]3ccc(c6)C)cc(cc5)C)(Oc3c(Cl)cc(Cl)c5c3[n]4c(C)cc5)[n]3c2c(c(Cl)c1)ccc3C
• Title of publication: A new class of nickel(II) oxyquinoline-bipyridine complexes as potent anticancer agents induces apoptosis and autophagy in A549/DDP tumor cells through mitophagy pathways
• Authors of publication: Wang, Zhen-Feng; Wei, Qiao-Chang; Li, Jin-Xian; Zhou, Zhen; Zhang, Shuhua
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 8.9012 ± 0.0002 Å
• b: 11.3885 ± 0.0002 Å
• c: 15.2431 ± 0.0003 Å
• α: 77.0354 ± 0.0007°
• β: 86.1617 ± 0.0008°
• γ: 75.326 ± 0.0008°
• Cell volume: 1456.62 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 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: 0.0635
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1597
• Weighted residual factors for all reflections included in the refinement: 0.1631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No