Information card for entry 7040191

Structure parameters

• Formula: C26 H35 Cu N7 O8
• Calculated formula: C26 H35 Cu N7 O8
• SMILES: [Cu]123([O]=C4NC(=O)C(C(=O)N14)(CC)CC)([O]=C1N2C(=O)NC(=O)C1(CC)CC)[n]1c(Nc2[n]3cccc2)cccc1.O.O
• Title of publication: Ni(ii)/Cu(ii)/Zn(ii) 5,5-diethylbarbiturate complexes with 1,10-phenanthroline and 2,2'-dipyridylamine: synthesis, structures, DNA/BSA binding, nuclease activity, molecular docking, cellular uptake, cytotoxicity and the mode of cell death.
• Authors of publication: Yilmaz, Veysel T.; Icsel, Ceyda; Suyunova, Feruza; Aygun, Muhittin; Aztopal, Nazlihan; Ulukaya, Engin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 25
• Pages of publication: 10466 - 10479
• a: 8.987 ± 0.0015 Å
• b: 12.946 ± 0.003 Å
• c: 25.793 ± 0.006 Å
• α: 90°
• β: 95.017 ± 0.017°
• γ: 90°
• Cell volume: 2989.4 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1089
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 0.802
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No