Information card for entry 7043117

Structure parameters

• Formula: C27 H45.5 Ag N2.5 O3 P
• Calculated formula: C26 H44 Ag N2 O3 P
• SMILES: C1(CCCCC1)[P](C1CCCCC1)(C1CCCCC1)[Ag]N1C(=O)NC(=O)C(C1=O)(CC)CC
• Title of publication: Synthesis, structures and biomolecular interactions of new silver(I) 5,5-diethylbarbiturate complexes of monophosphines targeting Gram-positive bacteria and breast cancer cells
• Authors of publication: Yilmaz, Veysel T.; Icsel, Ceyda; Batur, Jenaidullah; Aydinlik, Seyma; Cengiz, Murat; Büyükgüngör, Orhan
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 10.8443 ± 0.0006 Å
• b: 11.5236 ± 0.0006 Å
• c: 13.6228 ± 0.0007 Å
• α: 97.443 ± 0.004°
• β: 90.55 ± 0.004°
• γ: 116.452 ± 0.004°
• Cell volume: 1506.96 ± 0.15 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No