Information card for entry 7030375

Structure parameters

• Formula: C98 H120 Cl4 N4 O2 P4 Si4 U2
• Calculated formula: C98 H120 Cl4 N4 O2 P4 Si4 U2
• SMILES: C12=P(c3ccccc3)(c3ccccc3)N([U]32([N](=P1(c1ccccc1)c1ccccc1)[Si](C)(C)C)([O]=C(C(C)(C)C)c1ccccc1)([Cl][U]12(C(=P(c4ccccc4)(c4ccccc4)N1[Si](C)(C)C)P(=[N]2[Si](C)(C)C)(c1ccccc1)c1ccccc1)([O]=C(C(C)(C)C)c1ccccc1)([Cl]3)Cl)Cl)[Si](C)(C)C.Cc1ccccc1.Cc1ccccc1
• 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: 12.6232 ± 0.0003 Å
• b: 14.1448 ± 0.0003 Å
• c: 14.8645 ± 0.0003 Å
• α: 104.972 ± 0.0018°
• β: 91.5936 ± 0.0017°
• γ: 106.771 ± 0.0017°
• Cell volume: 2439.86 ± 0.1 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0278
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0605
• Weighted residual factors for all reflections included in the refinement: 0.0702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No