Information card for entry 7034246

Structure parameters

• Formula: C38 H38 N6 O6 Pd2
• Calculated formula: C38 H38 N6 O6 Pd2
• SMILES: c1cccc2c3ccccc3[Pd]34([n]12)N1C(=O)NC(=O)C(C1=[O][Pd]14(c2c(c4cccc[n]14)cccc2)N1C(=O)NC(=O)C(C1=[O]3)(CC)CC)(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: 12.1633 ± 0.0006 Å
• b: 13.088 ± 0.0008 Å
• c: 14.6045 ± 0.0007 Å
• α: 71.039 ± 0.004°
• β: 66.529 ± 0.004°
• γ: 87.85 ± 0.005°
• Cell volume: 2005.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1081
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 0.805
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No