Information card for entry 7030377

Structure parameters

• Formula: C84 H108 Cl4 Li2 N4 O8 P4 Si4 U
• Calculated formula: C84 H108 Cl4 Li2 N4 O8 P4 Si4 U
• SMILES: C(P(c1ccccc1)(c1ccccc1)=N[Si](C)(C)C)(=P(c1ccccc1)(N[Si](C)(C)C)c1ccccc1)C(c1ccccc1)=[O][Li]1([O](C)CC[O]1C)[Cl][U](=O)(=O)(Cl)(Cl)[Cl][Li]1([O](C)CC[O]1C)[O]=C(c1ccccc1)C(P(c1ccccc1)(c1ccccc1)=N[Si](C)(C)C)=P(N[Si](C)(C)C)(c1ccccc1)c1ccccc1
• 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: 10.4952 ± 0.001 Å
• b: 11.0542 ± 0.001 Å
• c: 20.4225 ± 0.0019 Å
• α: 90.262 ± 0.001°
• β: 99.562 ± 0.001°
• γ: 98.078 ± 0.001°
• Cell volume: 2312.3 ± 0.4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1405
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.25
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No