Information card for entry 1508076

Structure parameters

• Formula: C46 H52 B F15 N4 Si2 U
• Calculated formula: C46 H52 B F15 N4 Si2 U
• SMILES: [U]12345678(N([Si](C)(C)C)[Si](C)(C)C)(N=N#[N][B](c9c(F)c(F)c(F)c(F)c9F)(c9c(F)c(F)c(F)c(F)c9F)c9c(F)c(F)c(F)c(F)c9F)([c]9([c]4([c]3([c]2([c]19C)C)C)C)CC)[c]1([c]5([c]6([c]7([c]81C)C)C)C)CC
• Title of publication: Uranium azide photolysis results in C-H bond activation and provides evidence for a terminal uranium nitride.
• Authors of publication: Thomson, Robert K.; Cantat, Thibault; Scott, Brian L.; Morris, David E.; Batista, Enrique R.; Kiplinger, Jaqueline L.
• Journal of publication: Nature chemistry
• Year of publication: 2010
• Journal volume: 2
• Journal issue: 9
• Pages of publication: 723 - 729
• a: 13.6355 ± 0.001 Å
• b: 25.5997 ± 0.0018 Å
• c: 14.2579 ± 0.001 Å
• α: 90°
• β: 100.183 ± 0.001°
• γ: 90°
• Cell volume: 4898.5 ± 0.6 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections included in the refinement: 0.0611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No