Information card for entry 7713803

Structure parameters

• Formula: C51 H75 N Si6 U
• Calculated formula: C51 H75 N Si6 U
• SMILES: [U]123456789%10(N(c%11ccc(cc%11)C)C(=CC%10=C(C[Si]([c]1%10[c]8([cH]4[c]3([Si](C)(C)C)[cH]2%10)[Si](C)(C)C)(C)C)c1ccccc1)c1ccccc1)[c]1([Si](C)(C)C)[c]9([Si](C)(C)C)[cH]5[c]6([Si](C)(C)C)[cH]71
• 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: 11.9779 ± 0.0003 Å
• b: 12.2577 ± 0.0002 Å
• c: 21.5594 ± 0.0003 Å
• α: 81.132 ± 0.001°
• β: 80.211 ± 0.002°
• γ: 61.361 ± 0.002°
• Cell volume: 2727.99 ± 0.1 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 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: 0.0422
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No