Information card for entry 4345339

Structure parameters

• Formula: C37 H51 B2 N13 U
• Calculated formula: C37 H51 B2 N13 U
• SMILES: Cc1cc(C)[n]2n1[BH]1n3c(C)cc(C)[n]3[U]342([n]2c(cc(C)n12)C)([n]1c(cc(C)n1[BH](n1c(C)cc(C)[n]31)n1c(C)cc(C)[n]41)C)=Nc1ccc(cc1)C
• 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: 11.0487 ± 0.0006 Å
• b: 13.1053 ± 0.0007 Å
• c: 14.2827 ± 0.0007 Å
• α: 87.04 ± 0.005°
• β: 77.226 ± 0.004°
• γ: 84.309 ± 0.005°
• Cell volume: 2006.02 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.177
• Weighted residual factors for all reflections included in the refinement: 0.1842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.195
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No