Information card for entry 7709977

Structure parameters

• Formula: C35 H36 N4 Ni O5
• Calculated formula: C35 H36 N4 Ni O5
• SMILES: [Ni]123(Oc4c5[n]3c(C)ccc5ccc4)(Oc3c4[n]2c(ccc4ccc3)C)[n]2c3c4[n]1cccc4ccc3ccc2.OC.OC.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: 11.7481 ± 0.0004 Å
• b: 21.2938 ± 0.0008 Å
• c: 12.5553 ± 0.0004 Å
• α: 90°
• β: 92.0463 ± 0.0015°
• γ: 90°
• Cell volume: 3138.85 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 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: 0.0647
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No