Information card for entry 7709983

Structure parameters

• Formula: C46 H36 Cl4 N4 Ni O4
• Calculated formula: C46 H36 Cl4 N4 Ni O4
• SMILES: [Ni]123(Oc4c5[n]1cccc5c(Cl)cc4Cl)(Oc1c(Cl)cc(Cl)c4c1[n]3ccc4)[n]1c3c4[n]2c(cc(c2ccccc2)c4ccc3c(cc1C)c1ccccc1)C.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: 19.1813 ± 0.0008 Å
• b: 15.3203 ± 0.0007 Å
• c: 14.7737 ± 0.0005 Å
• α: 90°
• β: 110.76 ± 0.0017°
• γ: 90°
• Cell volume: 4059.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• 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: 0.07
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No