Information card for entry 7223083

Structure parameters

• Formula: C21 H16 Br2 N2 O5 U
• Calculated formula: C21 H16 Br2 N2 O5 U
• SMILES: [U]123(=O)(=O)Oc4c(C=[N]3c3c([N]2=Cc2c(O1)ccc(Br)c2)cccc3)cc(Br)cc4.OC
• Title of publication: Synthesis, spectral characterization, structure studies, molecular docking and antimicrobial evaluation of new dioxidouranium(VI) complexes incorporating tetradentate N2O2 Schiff base ligands
• Authors of publication: Ebrahimipour, S. Yousef; Sheikhshoie, Iran; Castro, Jesus; Dusek, Michal; tohidian, zeinab; eigner, vaclav; Khaleghi, Moj
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 13.772 ± 0.0006 Å
• b: 7.2047 ± 0.0003 Å
• c: 22.2442 ± 0.0009 Å
• α: 90°
• β: 106.684 ± 0.004°
• γ: 90°
• Cell volume: 2114.22 ± 0.16 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• 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: 0.0511
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for significantly intense reflections: 1.93
• Goodness-of-fit parameter for all reflections included in the refinement: 1.81
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No