Information card for entry 4088206

Structure parameters

• Chemical name: U(IV) cis benzyne
• Formula: C44 H62 Li2 N4 O2 U
• Calculated formula: C44 H62 Li2 N4 O2 U
• SMILES: [U]12345([N](Cc6ccccc46)(C)C)(c4c(cccc4)C[N]2(C)C)[c]24c6C[N]([Li]74[N](Cc4ccc[c]1([c]374)[Li]([O]1CCCC1)([O]1CCCC1)[c]52ccc6)(C)C)(C)C
• Title of publication: Synthesis and Reactivity of a U(IV) Dibenzyne Complex
• Authors of publication: Pedrick, Elizabeth A.; Seaman, Lani A.; Scott, Joshua C.; Griego, Leonel; Wu, Guang; Hayton, Trevor W.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 4
• Pages of publication: 494
• a: 21.494 ± 0.005 Å
• b: 10.946 ± 0.002 Å
• c: 18.895 ± 0.004 Å
• α: 90°
• β: 109.009 ± 0.004°
• γ: 90°
• Cell volume: 4203.1 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0918
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0614
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No