Information card for entry 7709979

Structure parameters

• Formula: C45 H32 Cl4 N4 Ni O3
• Calculated formula: C45 H32 Cl4 N4 Ni O3
• SMILES: [Ni]123(Oc4c(Cl)cc(Cl)c5c4[n]1c(cc5)C)([n]1c(C)ccc4c1c(O2)c(Cl)cc4Cl)[n]1ccc(c2c1c1[n]3ccc(c1cc2)c1ccccc1)c1ccccc1.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: 14.3136 ± 0.0003 Å
• b: 15.6216 ± 0.0003 Å
• c: 17.4536 ± 0.0004 Å
• α: 90°
• β: 96.765 ± 0.001°
• γ: 90°
• Cell volume: 3875.48 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0682
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1509
• Weighted residual factors for all reflections included in the refinement: 0.1556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No