Information card for entry 4345341

Structure parameters

• Formula: C46 H69 B2 N13 O U
• Calculated formula: C46 H69 B2 N13 O U
• Title of publication: [2π+2π] Cycloaddition of Isocyanates to Uranium(IV) Imido Complexes for the Synthesis of U(IV) κ(2)-Ureato Compounds.
• Authors of publication: Tatebe, Caleb J.; Zeller, Matthias; Bart, Suzanne C.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 4
• Pages of publication: 1956 - 1965
• a: 16.0622 ± 0.0004 Å
• b: 20.1994 ± 0.0012 Å
• c: 17.3817 ± 0.0009 Å
• α: 90°
• β: 115.484 ± 0.003°
• γ: 90°
• Cell volume: 5090.8 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0904
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No