Information card for entry 1557944

Structure parameters

• Formula: C20 H4 F24 O8 U
• Calculated formula: C20 H4 F24 O8 U
• SMILES: C(C1=CC(=[O][U]234(O1)(OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F)(OC(=CC(=[O]3)C(F)(F)F)C(F)(F)F)OC(=CC(=[O]4)C(F)(F)F)C(F)(F)F)C(F)(F)F)(F)(F)F
• Title of publication: Structural properties of ultra-small thorium and uranium dioxide nanoparticles embedded in a covalent organic framework
• Authors of publication: Moreau, Liane M.; Herve, Alexandre; Straub, Mark D.; Russo, Dominic R.; Abergel, Rebecca J.; Alayoglu, Selim; Arnold, John; Braun, Augustin; Deblonde, Gauthier J. P.; Liu, Yangdongling; Lohrey, Trevor D.; Olive, Daniel T.; Qiao, Yusen; Rees, Julian A.; Shuh, David K.; Teat, Simon J.; Booth, Corwin H.; Minasian, Stefan G.
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 18
• Pages of publication: 4648 - 4668
• a: 17.4457 ± 0.0004 Å
• b: 17.4457 ± 0.0004 Å
• c: 29.8629 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9088.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0911
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No