Information card for entry 1558299

Structure parameters

• Common name: Compound 5A.3dme
• Chemical name: [{(py)U(u-F)(u-OBcat)U(u-O2C6H4)(py)}(LA)]
• Formula: C92 H96 B F N10 O11 U2
• Calculated formula: C92 H96 B F N10 O11 U2
• Title of publication: Selective Oxo Ligand Functionalisation and Substitution Reactivity in an Oxo/Catecholate-Bridged UIV/UIV Pacman Complex
• Authors of publication: Cowie, Bradley E.; Douair, Iskander; Laurent, Maron; Love, Jason; Arnold, Polly Louise
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 14.6146 ± 0.0003 Å
• b: 16.3896 ± 0.0004 Å
• c: 18.1536 ± 0.0004 Å
• α: 77.518 ± 0.002°
• β: 78.699 ± 0.002°
• γ: 82.007 ± 0.002°
• Cell volume: 4141.91 ± 0.17 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120.01 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No