Information card for entry 4081632

Structure parameters

• Common name: complex_12_formate
• Formula: C37 H64 O2 Si2 U
• Calculated formula: C37 H64 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]=CO%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 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: 8.9601 ± 0.0002 Å
• b: 11.9408 ± 0.0003 Å
• c: 19.1699 ± 0.0006 Å
• α: 101.418 ± 0.001°
• β: 91.992 ± 0.001°
• γ: 103.723 ± 0.002°
• Cell volume: 1945.82 ± 0.09 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: 0.0424
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 0.876
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No