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Information card for entry 1557944
Preview
| Coordinates | 1557944.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 257390 (current) | 2020-10-06 | cif/ Updating files of 1557943, 1557944 Original log message: Adding full bibliography for 1557943--1557944.cif. |
1557944.cif |
| 252741 | 2020-06-05 | cif/ Updating files of 1557943, 1557944 Original log message: Adding full bibliography for 1557943--1557944.cif. |
1557944.cif |
| 251251 | 2020-04-29 | cif/ Adding structures of 1557943, 1557944 via cif-deposit CGI script. |
1557944.cif |
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Users of the data should acknowledge the original authors of the
structural data.