Information card for entry 1558297

Structure parameters

• Common name: Compound 6.solvent
• Chemical name: [{(py)U(Cl)2U(O2C6H4)(py)}(LA)]
• Formula: C74 H62 Cl2 N10 O2 U2
• Calculated formula: C74 H62 Cl2 N10 O2 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: 14.0058 ± 0.0003 Å
• b: 21.7361 ± 0.0005 Å
• c: 14.7736 ± 0.0003 Å
• α: 90°
• β: 105.395 ± 0.002°
• γ: 90°
• Cell volume: 4336.17 ± 0.17 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No