Information card for entry 7713671

Structure parameters

• Formula: C38 H28 Br2 Cu N8 O4
• Calculated formula: C38 H28 Br2 Cu N8 O4
• SMILES: Brc1nc(N(N2[Cu]34(Oc5c(OC)cccc5C=[N]4N=C2c2cccc(OC)c2O)[n]2cccc4ccc5ccc[n]3c5c24)c2nc(Br)ccc2)ccc1
• 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: 13.4524 ± 0.0005 Å
• b: 10.6152 ± 0.0004 Å
• c: 25.0931 ± 0.0008 Å
• α: 90°
• β: 101.312 ± 0.003°
• γ: 90°
• Cell volume: 3513.7 ± 0.2 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 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: 0.0423
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.3405 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No