Information card for entry 7709988

Structure parameters

• Formula: C37 H36 Cl2 I2 N4 Ni O3
• Calculated formula: C37 H36 Cl2 I2 N4 Ni O3
• SMILES: Ic1c2O[Ni]34(Oc5c(I)cc(Cl)c6c5[n]3ccc6)([n]3c2c(ccc3)c(Cl)c1)[n]1ccc(cc1c1[n]4ccc(c1)C(C)(C)C)C(C)(C)C.OC
• 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: 27.0578 ± 0.0007 Å
• b: 11.1058 ± 0.0003 Å
• c: 24.735 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7432.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0852
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1454
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.228
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No