Information card for entry 7713809

Structure parameters

• Formula: C35 H65 I N Si6 U
• Calculated formula: C35 H65 I N Si6 U
• SMILES: [U]12345678(I)(=Nc9ccc(cc9)C)([c]9([cH]4[c]3([Si](C)(C)C)[cH]2[c]19[Si](C)(C)C)[Si](C)(C)C)[c]1([Si](C)(C)C)[c]5([Si](C)(C)C)[cH]6[c]7([Si](C)(C)C)[cH]81
• Title of publication: Reactivity of a Lewis base supported uranium terminal imido metallocene towards small molecules
• Authors of publication: Li, Tongyu; Wang, Dongwei; Heng, Yi; Hou, Guohua; Zi, Guofu; Walter, Marc D.
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 11.2421 ± 0.0003 Å
• b: 17.3258 ± 0.0003 Å
• c: 24.2585 ± 0.0006 Å
• α: 90°
• β: 102.701 ± 0.003°
• γ: 90°
• Cell volume: 4609.41 ± 0.19 ų
• Cell temperature: 99.97 ± 0.19 K
• Ambient diffraction temperature: 99.97 ± 0.19 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1098
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No