Information card for entry 7034249

Structure parameters

• Formula: C26 H31 N7 O6 Pd
• Calculated formula: C26 H31 N7 O6 Pd
• SMILES: [Pd]1([n]2c(Nc3cccc[n]13)cccc2)(N1C(=O)C(C(=O)NC1=O)(CC)CC)N1C(=O)C(C(=O)NC1=O)(CC)CC
• Title of publication: New palladium(ii) and platinum(ii) 5,5-diethylbarbiturate complexes with 2-phenylpyridine, 2,2'-bipyridine and 2,2'-dipyridylamine: synthesis, structures, DNA binding, molecular docking, cellular uptake, antioxidant activity and cytotoxicity.
• Authors of publication: Icsel, Ceyda; Yilmaz, Veysel T.; Kaya, Yunus; Samli, Hale; Harrison, William T. A.; Buyukgungor, Orhan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 15
• Pages of publication: 6880 - 6895
• a: 11.631 ± 0.007 Å
• b: 12.252 ± 0.009 Å
• c: 12.778 ± 0.015 Å
• α: 104.54 ± 0.03°
• β: 101.15 ± 0.03°
• γ: 108.709 ± 0.001°
• Cell volume: 1593 ± 2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1101
• Residual factor for significantly intense reflections: 0.0875
• Weighted residual factors for significantly intense reflections: 0.2394
• Weighted residual factors for all reflections included in the refinement: 0.2626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.6889 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No