Information card for entry 7713810

Structure parameters

• Formula: C51 H79 N3 Si6 U
• Calculated formula: C51 H79 N3 Si6 U
• SMILES: [U]123456789(N(c%10ccc(cc%10)C)C(=[NH]1)Cc1ccccc1)(N=C=Cc1ccccc1)([c]1([Si](C)(C)C)[c]9([cH]4[c]3([Si](C)(C)C)[cH]21)[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: 15.71148 ± 0.00017 Å
• b: 17.09461 ± 0.00016 Å
• c: 23.34218 ± 0.00017 Å
• α: 69.891 ± 0.0008°
• β: 73.7899 ± 0.0009°
• γ: 85.9991 ± 0.0008°
• Cell volume: 5650.67 ± 0.1 ų
• Cell temperature: 100.03 ± 0.18 K
• Ambient diffraction temperature: 100.03 ± 0.18 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: 0.0438
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No