Information card for entry 7030380

Structure parameters

• Formula: C52 H76 Cl3 Li N4 O2 P2 Si2 U
• Calculated formula: C52 H76 Cl3 Li N4 O2 P2 Si2 U
• SMILES: [U]1234([Cl][Li]([Cl]1)([O]1CCCC1)[O]1CCCC1)(Cl)[C](=P(c1ccccc1)(c1ccccc1)N2[Si](C)(C)C)(P(c1ccccc1)(c1ccccc1)=[N]3[Si](C)(C)C)C(=N\C1CCCCC1)/N4C1CCCCC1
• Title of publication: Reactivity of the uranium(iv) carbene complex [U(BIPM(TMS))(Cl)(μ-Cl)2Li(THF)2] (BIPM(TMS) = {C(PPh2NSiMe3)2}) towards carbonyl and heteroallene substrates: metallo-Wittig, adduct formation, C-F bond activation, and [2 + 2]-cycloaddition reactions.
• Authors of publication: Cooper, Oliver J.; Mills, David P.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 38
• Pages of publication: 14275 - 14283
• a: 13.0517 ± 0.0011 Å
• b: 22.8985 ± 0.0019 Å
• c: 18.7017 ± 0.0015 Å
• α: 90°
• β: 96.221 ± 0.001°
• γ: 90°
• Cell volume: 5556.4 ± 0.8 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 9
• 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: 0.071
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No