Information card for entry 7226108

Structure parameters

• Formula: C25 H32 N4 O9 U
• Calculated formula: C25 H32 N4 O9 U
• SMILES: [U]12(=O)(=O)(Oc3c(C=[N]2c2cccc4ccc[n]1c24)cc1c2N(CCC1)CCCc32)([OH]C)[OH]C.OC.O=N(=O)[O-]
• Title of publication: Dioxo-vanadium(V), oxo-rhenium(V) and dioxo-uranium(VI) complexes with a tridentate Schiff base ligand
• Authors of publication: Zhang, Yingjie; Fanna, Daniel; Shepherd, Nicholas D.; Karatchevtseva, Inna; Lu, Kim; Kong, Linggen; Price, Jason R.
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 11.447 ± 0.002 Å
• b: 15.65 ± 0.003 Å
• c: 15.962 ± 0.003 Å
• α: 90°
• β: 110.58 ± 0.03°
• γ: 90°
• Cell volume: 2677 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0414
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71074 Å
• Diffraction radiation type: silicondoublecrystalmonochromatedsynchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No