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Information card for entry 7007678
Preview
| Coordinates | 7007678.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H36 N6 O18 U2 |
|---|---|
| Calculated formula | C18 H36 N6 O18 U2 |
| SMILES | C1(=O)C[NH]2CC[NH]3[U]2(=O)(=O)(O1)(OC(=O)C3)OC(=O)C[NH2+]CC[NH2+]CC(=O)O[U]123([NH](CC(=O)O2)CC[NH]1CC(=O)O3)(=O)=O.O.O |
| Title of publication | Structure, equilibrium and ligand exchange dynamics in the binary and ternary dioxouranium(VI)-ethylenediamine-N,N'-diacetic acid-fluoride system: A potentiometric, NMR and X-ray crystallographic study. |
| Authors of publication | Palladino, Giuseppe; Szabó, Zoltán; Fischer, Andreas; Grenthe, Ingmar |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2006 |
| Journal issue | 43 |
| Pages of publication | 5176 - 5183 |
| a | 18.805 ± 0.002 Å |
| b | 6.3685 ± 0.0003 Å |
| c | 12.865 ± 0.001 Å |
| α | 90° |
| β | 102.775 ± 0.007° |
| γ | 90° |
| Cell volume | 1502.6 ± 0.2 Å3 |
| Cell temperature | 299 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 | 0.0416 |
| Residual factor for significantly intense reflections | 0.023 |
| Weighted residual factors for significantly intense reflections | 0.0362 |
| Weighted residual factors for all reflections included in the refinement | 0.0403 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179780 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/76. |
7007678.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7007678.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7007678.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7007678.cif |
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Users of the data should acknowledge the original authors of the
structural data.