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Information card for entry 4344436
Preview
| Coordinates | 4344436.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C57 H66 Co N6 O16 U2 |
|---|---|
| Calculated formula | C57 H66 Co N6 O16 U2 |
| SMILES | C12=[O][U]345(=O)(=O)(O2)[O]=C(CCCCCCCC2=[O][U]67(=O)(=O)([O]=C(CCCCCCC1)O6)(O2)OC(=[O]7)CCCCCCCC(=[O]4)O5)O3.[n]12ccccc1c1[n](cccc1)[Co]132([n]2ccccc2c2[n]1cccc2)[n]1ccccc1c1[n]3cccc1 |
| Title of publication | A New Form of Triple-Stranded Helicate Found in Uranyl Complexes of Aliphatic α,ω-Dicarboxylates. |
| Authors of publication | Thuéry, Pierre; Harrowfield, Jack |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 22 |
| Pages of publication | 10539 - 10541 |
| a | 18.2027 ± 0.0002 Å |
| b | 18.2027 ± 0.0002 Å |
| c | 18.2027 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6031.25 ± 0.11 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 198 |
| Hermann-Mauguin space group symbol | P 21 3 |
| Hall space group symbol | P 2ac 2ab 3 |
| Residual factor for all reflections | 0.0402 |
| Residual factor for significantly intense reflections | 0.03 |
| Weighted residual factors for significantly intense reflections | 0.0638 |
| Weighted residual factors for all reflections included in the refinement | 0.0657 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| 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. |
4344436.cif |
| 170792 | 2015-12-06 | cif/ Updating files of 4344436, 4344437, 4344438, 4344439, 4344440, 4344441 Original log message: Adding full bibliography for 4344436--4344441.cif. |
4344436.cif |
| 170027 | 2015-11-06 | cif/ Adding structures of 4344436, 4344437, 4344438, 4344439, 4344440, 4344441 via cif-deposit CGI script. |
4344436.cif |
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Users of the data should acknowledge the original authors of the
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