Information card for entry 4081622

Structure parameters

• Common name: complex_3_benzyl
• Formula: C43 H70 Si2 U
• Calculated formula: C43 H70 Si2 U
• SMILES: [C]12([CH]3[CH]4=[C]5([CH]6=[CH]7[CH]8=[CH]1[U]19%10%112345678([c]2([c]%11([c]%10([c]9([c]12C)C)C)C)C)Cc1ccccc1)[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 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: 12.9743 ± 0.0002 Å
• b: 17.3522 ± 0.0003 Å
• c: 20.0913 ± 0.0004 Å
• α: 82.567 ± 0.001°
• β: 75.325 ± 0.001°
• γ: 69.361 ± 0.001°
• Cell volume: 4090.81 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No