Information card for entry 7712563

Structure parameters

• Formula: C32 H28 Cu F2 N8 O8
• Calculated formula: C32 H22 Cu F2 N8 O5
• SMILES: [Cu]12(N3C(=O)NC=C(F)C3=O)([n]3cccc4ccc5ccc[n]1c5c34)[n]1cccc3ccc4ccc[n]2c4c13.Fc1c([O-])[nH]c(=O)nc1.O
• Title of publication: Water-soluble copper(II) 5-fluorouracil complexes bearing polypyridyl co-ligands: Synthesis, structures and anticancer activity
• Authors of publication: Icsel, Ceyda; Yilmaz, Veysel T.; Aygün, Muhittin; Erkisa, Merve; Ulukaya, Engin
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 13.1277 ± 0.0013 Å
• b: 19.623 ± 0.003 Å
• c: 24.848 ± 0.003 Å
• α: 90°
• β: 95.728 ± 0.01°
• γ: 90°
• Cell volume: 6369 ± 1.4 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: 0.1655
• Residual factor for significantly intense reflections: 0.1103
• Weighted residual factors for significantly intense reflections: 0.264
• Weighted residual factors for all reflections included in the refinement: 0.2998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No