Information card for entry 4104239

Structure parameters

• Formula: C56 H59 B F15 N4 O0.5 U
• Calculated formula: C56 H59 B F15 N4 O0.5 U
• SMILES: [U](N(c1cc(C)cc(C)c1)C(C)(C)C)(N(c1cc(C)cc(C)c1)C(C)(C)C)(N(c1cc(C)cc(C)c1)C(C)(C)C)=N[B](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.CCOCC
• Title of publication: Uranium-Nitrogen Multiple Bonding: The Case of a Four-Coordinate Uranium(VI) Nitridoborate Complex
• Authors of publication: Alexander R. Fox; Christopher C. Cummins
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 5716 - 5717
• a: 12.8381 ± 0.0006 Å
• b: 14.0439 ± 0.0007 Å
• c: 17.3667 ± 0.0008 Å
• α: 102.684 ± 0.001°
• β: 90.381 ± 0.001°
• γ: 106.738 ± 0.001°
• Cell volume: 2917.1 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0728
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No