Information card for entry 4081623

Structure parameters

• Common name: complex_4_monoTMS
• Formula: C40 H74 Si3 U
• Calculated formula: C40 H74 Si3 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]1([c]9([c]%10([c]%112C)C)C)C)C)C[Si](C)(C)C)[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: 11.5354 ± 0.0001 Å
• b: 21.3908 ± 0.0002 Å
• c: 34.3625 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8479 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 52
• Hermann-Mauguin space group symbol: P b n n
• Hall space group symbol: -P 2n 2b
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No