Information card for entry 1576300

Structure parameters

• Chemical name: U(IV)ExPh
• Formula: C57 H56 N8 O6.5 U
• Calculated formula: C47 H36 N8 O4 U
• Title of publication: Multiple oxidation states of uranium stabilized by an O,N,O-ligand
• Authors of publication: Juarez, Gabriel J.; Mason, Harris E.; Mangel, Daniel N.; Tondreau, Aaron M.; Sessler, Jonathan L.
• Journal of publication: Chemical Science
• Year of publication: 2025
• a: 11.9637 ± 0.0006 Å
• b: 13.5417 ± 0.0007 Å
• c: 15.7213 ± 0.0008 Å
• α: 67.894 ± 0.001°
• β: 88.453 ± 0.001°
• γ: 88.57 ± 0.001°
• Cell volume: 2358.6 ± 0.2 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101 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: 0.0379
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No