Information card for entry 4105199

Structure parameters

• Chemical name: Uranium(IV) pentakis(methylenetrimethylsilane) lithium dodecakis(tert-butoxide) chloride
• Formula: C68 H163 Cl Li14 O12 Si5 U
• Calculated formula: C68 H163 Cl Li14 O12 Si5 U
• SMILES: CC([O]123[Li]4[O]5(C(C)(C)C)[Li]6[O]7(C(C)(C)C)([Li]8[O]9([Li]([O]4(C(C)(C)C)[Li]19)[O]68C(C)(C)C)(C(C)(C)C)[Li]37[Cl][Li]13[O]46(C(C)(C)C)[Li]7[O]83(C(C)(C)C)[Li]3[O]91(C(C)(C)C)[Li]6[O]1(C(C)(C)C)[Li]4[O]7(C(C)(C)C)[Li]48[O]3(C(C)(C)C)[Li]914)[Li]25)(C)C.[U](C[Si](C)(C)C)(C[Si](C)(C)C)(C[Si](C)(C)C)(C[Si](C)(C)C)C[Si](C)(C)C
• Title of publication: Homoleptic Uranium(IV) Alkyl Complexes: Synthesis and Characterization
• Authors of publication: Skye Fortier; Brent C. Melot; Guang Wu; Trevor W. Hayton
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 15512 - 15521
• a: 10.9396 ± 0.0008 Å
• b: 28.544 ± 0.002 Å
• c: 32.502 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10149.1 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0751
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No