Information card for entry 7713806

Structure parameters

• Formula: C42 H72 N2 Si6 U
• Calculated formula: C42 H72 N2 Si6 U
• SMILES: [U]12345678(=Nc9ccc(cc9)C)(=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([cH]8[c]7([Si](C)(C)C)[cH]6[c]51[Si](C)(C)C)[Si](C)(C)C
• 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: 12.0216 ± 0.0004 Å
• b: 22.2346 ± 0.0005 Å
• c: 23.1886 ± 0.0004 Å
• α: 92.121 ± 0.002°
• β: 101.119 ± 0.002°
• γ: 97.782 ± 0.002°
• Cell volume: 6013.1 ± 0.3 ų
• Cell temperature: 99.98 ± 0.1 K
• Ambient diffraction temperature: 99.98 ± 0.1 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: 0.1225
• Residual factor for significantly intense reflections: 0.1078
• Weighted residual factors for significantly intense reflections: 0.2886
• Weighted residual factors for all reflections included in the refinement: 0.3025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No