Information card for entry 7056428

Structure parameters

• Formula: C28 H37 Cu N7 O7
• Calculated formula: C28 H37 Cu N7 O7
• Title of publication: Synthesis, structures, DNA/protein binding, molecular docking, anticancer activity and ROS generation of Ni(II), Cu(II) and Zn(II) 5,5-diethylbarbiturate complexes with bis(2-pyridylmethyl)amine and terpyridine
• Authors of publication: Yilmaz, Veysel T.; Icsel, Ceyda; Suyunova, Feruza; Aygün, Muhittin; Cevatemre, Buse; Ulukaya, Engin
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 16
• Pages of publication: 8092 - 8106
• a: 11.955 ± 0.0003 Å
• b: 13.1256 ± 0.0004 Å
• c: 19.5245 ± 0.0005 Å
• α: 90°
• β: 98.522 ± 0.003°
• γ: 90°
• Cell volume: 3029.89 ± 0.14 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No