Information card for entry 7709975

Structure parameters

• Formula: C31.5 H22 Cl4 N4 Ni O3.5
• Calculated formula: C31.5 H22 Cl4 N4 Ni O3.5
• SMILES: [Ni]123(Oc4c(Cl)cc(Cl)c5ccc[n]1c45)(Oc1c(Cl)cc(Cl)c4ccc[n]3c14)[n]1cccc3ccc4c([n]2ccc4)c13.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: 12.6484 ± 0.0008 Å
• b: 20.5153 ± 0.0015 Å
• c: 23.4843 ± 0.0017 Å
• α: 98.674 ± 0.003°
• β: 92.536 ± 0.002°
• γ: 95.017 ± 0.002°
• Cell volume: 5990.8 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 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: 0.0988
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1338
• Weighted residual factors for all reflections included in the refinement: 0.1572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No