Information card for entry 7713673

Structure parameters

• Formula: C36 H22 Cl2 Cu N10 O6
• Calculated formula: C36 H22 Cl2 Cu N10 O6
• SMILES: [Cu]123(Oc4ccc(N(=O)=O)cc4C=[N]2N=C(N3N(c2nc(Cl)ccc2)c2nc(Cl)ccc2)c2c(O)ccc(N(=O)=O)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: 18.6784 ± 0.0003 Å
• b: 15.0262 ± 0.0002 Å
• c: 11.9841 ± 0.0001 Å
• α: 90°
• β: 104.981 ± 0.001°
• γ: 90°
• Cell volume: 3249.2 ± 0.07 ų
• Cell temperature: 99.98 ± 0.1 K
• Ambient diffraction temperature: 99.98 ± 0.1 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: 0.0436
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.3405 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No