Information card for entry 4081627

Structure parameters

• Common name: complex_7_methyl_CO2
• Formula: C38 H66 O2 Si2 U
• Calculated formula: C38 H66 O2 Si2 U
• SMILES: [U]123456789%10%11%12([O]=C(O1)C)([C]1([Si](C(C)C)(C(C)C)C(C)C)=[CH]2[CH]3=[C]4([Si](C(C)C)(C(C)C)C(C)C)[CH]5=[CH]6[CH]7=[CH]81)[c]1([c]%10([c]%11([c]%12([c]91C)C)C)C)C
• 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: 8.9809 ± 0.0002 Å
• b: 11.9911 ± 0.0002 Å
• c: 19.1345 ± 0.0005 Å
• α: 101.534 ± 0.001°
• β: 93.119 ± 0.001°
• γ: 104.471 ± 0.002°
• Cell volume: 1943.08 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No