Information card for entry 7713675

Structure parameters

• Formula: C38 H22 Br6 Cu N9 O2
• Calculated formula: C38 H22 Br6 Cu N9 O2
• SMILES: c1[n]2[Cu]34(Oc5c(C=[N]3N=C(N4N(c3nc(Br)ccc3)c3ccnc(Br)c3)c3cc(Br)cc(Br)c3O)cc(Br)cc5Br)[n]3cccc4ccc(cc1)c2c34.CC#N
• 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: 22.763 ± 0.003 Å
• b: 15.0213 ± 0.0012 Å
• c: 23.524 ± 0.003 Å
• α: 90°
• β: 98.088 ± 0.011°
• γ: 90°
• Cell volume: 7963.5 ± 1.6 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: 0.284
• Residual factor for significantly intense reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.1289
• Weighted residual factors for all reflections included in the refinement: 0.2035
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No