Information card for entry 4081629

Structure parameters

• Common name: complex_10_tuckin_CO2
• Formula: C80 H130 O4 Si4 U2
• Calculated formula: C80 H130 O4 Si4 U2
• SMILES: [C]12(=[CH]3[CH]4=[C]5([CH]6=[CH]7[CH]8=[CH]1[U]19%10%11%12%132345678[c]2([c]1([c]9([c]%10([c]%112CC(O%12)=[O][U]123456789%10%11%12([C]%14(=[CH]1[CH]2=[C]3([CH]4=[CH]5[CH]6=[CH]7%14)[Si](C(C)C)(C(C)C)C(C)C)[Si](C(C)C)(C(C)C)C(C)C)[c]1([c]8([c]9([c]%10([c]%111CC(=[O]%13)O%12)C)C)C)C)C)C)C)C)[Si](C(C)C)(C(C)C)C(C)C)[Si](C(C)C)(C(C)C)C(C)C.c1ccccc1
• Title of publication: Synthesis and CO2Insertion Chemistry of Uranium(IV) Mixed-Sandwich Alkyl and Hydride Complexes
• Authors of publication: Higgins, Jessica A.; Cloke, F. Geoffrey N.; Roe, S. Mark
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 19
• Pages of publication: 5244
• a: 11.6959 ± 0.0001 Å
• b: 27.3298 ± 0.0003 Å
• c: 13.4179 ± 0.0002 Å
• α: 90°
• β: 115.566 ± 0.001°
• γ: 90°
• Cell volume: 3869.05 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No