Information card for entry 7030378

Structure parameters

• Formula: C20 H20 Cl2 F2 N4 U
• Calculated formula: C20 H20 Cl2 F2 N4 U
• SMILES: F[U]([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)(F)(Cl)Cl
• 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: 18.116 ± 0.004 Å
• b: 9.6551 ± 0.0019 Å
• c: 15.002 ± 0.003 Å
• α: 90°
• β: 124.27 ± 0.03°
• γ: 90°
• Cell volume: 2168.5 ± 1.1 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0151
• Residual factor for significantly intense reflections: 0.0148
• Weighted residual factors for significantly intense reflections: 0.036
• Weighted residual factors for all reflections included in the refinement: 0.0361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No