Information card for entry 7713811

Structure parameters

• Formula: C55 H94 N4 S Si6 U
• Calculated formula: C55 H94 N4 S Si6 U
• SMILES: [U]123456789(S/C(=N\c%10ccccc%10)N1c1ccc(cc1)C)([n]1ccc(N(C)C)cc1)([c]1([Si](C)(C)C)[c]2([Si](C)(C)C)[cH]3[c]4([Si](C)(C)C)[cH]51)[c]1([Si](C)(C)C)[c]9([cH]6[c]7([Si](C)(C)C)[cH]81)[Si](C)(C)C.CCCCCC
• 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: 12.1303 ± 0.0003 Å
• b: 12.8239 ± 0.0003 Å
• c: 21.7214 ± 0.0004 Å
• α: 96.102 ± 0.002°
• β: 90.987 ± 0.002°
• γ: 111.065 ± 0.002°
• Cell volume: 3129.66 ± 0.13 ų
• Cell temperature: 99.8 ± 0.4 K
• Ambient diffraction temperature: 99.8 ± 0.4 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No