Information card for entry 7115312

Structure parameters

• Formula: C47 H51 Cl N3 O0.12 Se U
• Calculated formula: C48.5 H54 Cl N3 O0.5 Se U
• Title of publication: Utility of a redox-active pyridine(diimine) chelate in facilitating two electron oxidative addition chemistry at uranium
• Authors of publication: John J. Kiernicki; Phillip E. Fanwick; Suzanne C. Bart
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 8189
• a: 42.342 ± 0.002 Å
• b: 8.3362 ± 0.0004 Å
• c: 24.4297 ± 0.0012 Å
• α: 90°
• β: 101.179 ± 0.004°
• γ: 90°
• Cell volume: 8459.4 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No