Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7112556
Preview
| Coordinates | 7112556.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C128 H147 N14 O16 U5 |
|---|---|
| Calculated formula | C128 H147 N14 O16 U5 |
| SMILES | [U]12345(O[U]6789([O]%10[U]%11%12%13(O1)(O[U]1%14%15%16(O[U]%17%18%19%10(O6)Oc6ccccc6C=[N]%18CC[N]%19=Cc6ccccc6[O]%16%17)Oc6c(cc(cc6CN%14c6ccccc6[N]%15=Cc6cc(cc(c6O1)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)Oc1ccccc1C=[N]%12CC[N]%13=Cc1ccccc1O%11)Oc1ccccc1C=[N]8CC[N]9=Cc1ccccc1[O]57)Oc1c(cc(cc1C=[N]3c1ccccc1[N]4=Cc1cc(cc(c1O2)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C.N#CC.N#CC.N#CC.N#CC |
| Title of publication | New polynuclear U(IV)-U(V) complexes from U(IV) mediated uranyl(V) disproportionation. |
| Authors of publication | Mougel, Victor; Pécaut, Jacques; Mazzanti, Marinella |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2012 |
| Journal volume | 48 |
| Journal issue | 6 |
| Pages of publication | 868 - 870 |
| a | 16.8481 ± 0.0005 Å |
| b | 31.3059 ± 0.0014 Å |
| c | 24.9946 ± 0.001 Å |
| α | 90° |
| β | 104.442 ± 0.003° |
| γ | 90° |
| Cell volume | 12766.7 ± 0.9 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1425 |
| Residual factor for significantly intense reflections | 0.1038 |
| Weighted residual factors for significantly intense reflections | 0.2539 |
| Weighted residual factors for all reflections included in the refinement | 0.2766 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.106 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180239 (current) | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/25. |
7112556.cif |
| 110817 | 2014-04-20 | cif/ Adding structures of 7112553, 7112554, 7112555, 7112556 via cif-deposit CGI script. |
7112556.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.