Information card for entry 7713676

Structure parameters

• Formula: C36 H20 Cl6 Cu N8 O2
• Calculated formula: C36 H20 Cl6 Cu N8 O2
• SMILES: [Cu]123(Oc4c(Cl)cc(Cl)cc4C=[N]2N=C(N3N(c2nc(Cl)ccc2)c2nc(Cl)ccc2)c2c(O)c(Cl)cc(Cl)c2)[n]2cccc3ccc4ccc[n]1c4c23
• Title of publication: Hydrazylpyridine salicylaldehyde-copper(II)-1,10-phenanthroline complexes as potential anticancer agents: synthesis, characterization and anticancer evaluation
• Authors of publication: Chen, Yating; Ke, zhilin; Yuan, Lingyu; Liang, Meixiang; Zhang, Shuhua
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 12.9685 ± 0.0017 Å
• b: 14.0639 ± 0.0016 Å
• c: 39.685 ± 0.004 Å
• α: 90°
• β: 95.558 ± 0.01°
• γ: 90°
• Cell volume: 7204 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1657
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1404
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No