Information card for entry 4345185

Structure parameters

• Formula: C40 H57 B2 N13 U
• Calculated formula: C40 H57 B2 N13 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: 12.589 ± 0.003 Å
• b: 20.726 ± 0.004 Å
• c: 17.533 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4574.7 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No