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Information card for entry 4346572
Preview
| Coordinates | 4346572.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H22 N14 O16 U2 |
|---|---|
| Calculated formula | C16 H22 N14 O16 U2 |
| SMILES | c1n(cc[n+]1C)CC.C1#[N][U]23(=O)(ON(=[O]3)=O)(ON(=[O]2)=O)(N=C=NC#[N][U]23(N=C=N1)(=O)(=O)([O]=N(=O)O2)ON(=[O]3)=O)=O.c1n(cc[n+]1C)CC |
| Title of publication | Isolation of Uranyl Dicyanamide Complexes from N-Donor Ionic Liquids. |
| Authors of publication | Kelley, Steven P.; Rogers, Robin D. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 21 |
| Pages of publication | 10323 - 10334 |
| a | 10.7642 ± 0.0003 Å |
| b | 14.3103 ± 0.0004 Å |
| c | 10.9061 ± 0.0003 Å |
| α | 90° |
| β | 110.452 ± 0.001° |
| γ | 90° |
| Cell volume | 1574.07 ± 0.08 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0262 |
| Residual factor for significantly intense reflections | 0.0192 |
| Weighted residual factors for significantly intense reflections | 0.042 |
| Weighted residual factors for all reflections included in the refinement | 0.0443 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.967 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4346572.cif |
| 231853 | 2019-11-23 | cif/ Adding structures of 4346572, 4346573, 4346574, 4346575 via cif-deposit CGI script. |
4346572.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.