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Information card for entry 7120066
Preview
| Coordinates | 7120066.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H52 N3 O4 U |
|---|---|
| Calculated formula | C39 H52 N4 O4 U |
| SMILES | [U]1234(Oc5c(C=[N]2Cc2[n]4c(ccc2)C[N]3=Cc2c(O1)c(cc(C(C)(C)C)c2)C(C)(C)C)cc(cc5C(C)(C)C)C(C)(C)C)(=O)=O.N#CC |
| Title of publication | An Example of Unusual Pyridine Donor Schiff Base Uranyl (UO22+) Complexes |
| Authors of publication | Hardy, Emily Elizabeth; Wyss, Kevin M.; Eddy, Madeleine A.; Gorden, Anne E. V. |
| Journal of publication | Chem. Commun. |
| Year of publication | 2017 |
| a | 13.9974 ± 0.0003 Å |
| b | 23.5111 ± 0.0005 Å |
| c | 23.6244 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7774.7 ± 0.3 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 56 |
| Hermann-Mauguin space group symbol | P c c n |
| Hall space group symbol | -P 2ab 2ac |
| Residual factor for all reflections | 0.0569 |
| Residual factor for significantly intense reflections | 0.0305 |
| Weighted residual factors for significantly intense reflections | 0.0619 |
| Weighted residual factors for all reflections included in the refinement | 0.0699 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 195946 (current) | 2017-05-04 | cif/ Adding structures of 7120065, 7120066 via cif-deposit CGI script. |
7120066.cif |
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Users of the data should acknowledge the original authors of the
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