Information card for entry 4134824

Structure parameters

• Formula: C116 H218 Li2 O32 Si14 U
• Calculated formula: C116 H186 Li2 O32 Si14 U
• SMILES: C1(CCCCC1)[Si@@]12[O]3[Li]([O]4[Si@]5(C6CCCCC6)O[Si]6(C7CCCCC7)O[Si]7(C8CCCCC8)O[Si@@]8(C9CCCCC9)O[Si](C9CCCCC9)(O[U]9%1034[O]([Li]([O]9[Si@](C3CCCCC3)(O8)O6)([O]3CCCC3)[O]3CCCC3)[Si@@]3(C4CCCCC4)O[Si@@]4(C6CCCCC6)O[Si](C6CCCCC6)(O%10)O[Si@@](C6CCCCC6)(O1)O[Si](C1CCCCC1)(O[Si](C1CCCCC1)(O2)O3)O4)O[Si@@](C1CCCCC1)(O7)O5)([O]1CCCC1)[O]1CCCC1.C1CCCO1.C1CCCO1.C1CCCO1.C1CCCO1
• Title of publication: Uranyl oxo silylation promoted by silsesquioxane coordination.
• Authors of publication: Assefa, Mikiyas K.; Wu, Guang; Hayton, Trevor W.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 18.8172 ± 0.0011 Å
• b: 28.943 ± 0.002 Å
• c: 26.8419 ± 0.0016 Å
• α: 90°
• β: 103.13 ± 0.003°
• γ: 90°
• Cell volume: 14236.6 ± 1.6 ų
• Cell temperature: 109.94 K
• Ambient diffraction temperature: 109.94 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2088
• Residual factor for significantly intense reflections: 0.1171
• Weighted residual factors for significantly intense reflections: 0.298
• Weighted residual factors for all reflections included in the refinement: 0.3534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No