Information card for entry 4104240

Structure parameters

• Formula: C72 H95 B F15 N5 O0.5 U
• Calculated formula: C72 H95 B F15 N5 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.[N+](CCCC)(CCCC)(CCCC)CCCC.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: 12.1153 ± 0.0016 Å
• b: 13.9807 ± 0.0018 Å
• c: 23.246 ± 0.003 Å
• α: 83.463 ± 0.002°
• β: 78.237 ± 0.002°
• γ: 88.23 ± 0.003°
• Cell volume: 3829.5 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0657
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No