Information card for entry 4085328

Structure parameters

• Common name: complex_3_carbamate
• Chemical name: (kappa-2-carbamato)(eta-5-pentamethylcyclopentadienyl) (eta-8-(bis{triisopropylsilyl}cyclooctatetraene))uranium(IV)
• Formula: C37 H65 N O2 Si2 U
• Calculated formula: C37 H65 N O2 Si2 U
• SMILES: [C]12(=[CH]3[CH]4=[C]5([CH]6=[CH]7[CH]8=[CH]1[U]19%10%11%122345678([c]2([c]1([c]9([c]%10([c]%112C)C)C)C)C)[O]=C(N)O%12)[Si](C(C)C)(C(C)C)C(C)C)[Si](C(C)C)(C(C)C)C(C)C
• Title of publication: Synthesis and Reactivity of a Mixed-Sandwich Uranium(IV) Primary Amido Complex
• Authors of publication: Higgins Frey, Jessica A.; Cloke, F. Geoffrey N.; Roe, S. Mark
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2102
• a: 8.8461 ± 0.0002 Å
• b: 11.9688 ± 0.0003 Å
• c: 19.1218 ± 0.0013 Å
• α: 101.496 ± 0.007°
• β: 93.003 ± 0.007°
• γ: 104.307 ± 0.007°
• Cell volume: 1911.37 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0287
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No