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Information card for entry 1512876
Preview
| Coordinates | 1512876.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C56 H84 N2 O6 U |
|---|---|
| Calculated formula | C56 H84 N2 O6 U |
| Title of publication | Aminoalkylbis(phenolate) [O,N,O] donor ligands for uranyl(VI) ion coordination: Syntheses, structures, and extraction studies |
| Authors of publication | Harri Sopo; Kamal Goljahanpoor; Reijo Sillanpää |
| Journal of publication | Polyhedron |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 13 |
| Pages of publication | 3397 - 3408 |
| a | 9.4543 ± 0.0003 Å |
| b | 11.2111 ± 0.0004 Å |
| c | 13.3303 ± 0.0005 Å |
| α | 103.444 ± 0.002° |
| β | 98.87 ± 0.002° |
| γ | 94.052 ± 0.002° |
| Cell volume | 1349.4 ± 0.08 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.048 |
| Residual factor for significantly intense reflections | 0.0471 |
| Weighted residual factors for significantly intense reflections | 0.099 |
| Weighted residual factors for all reflections included in the refinement | 0.0999 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.114 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1512876.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1512876.cif |
| 91029 | 2013-11-29 | cif/ Adding structures of 1512875, 1512876, 1512877, 1512878 via cif-deposit CGI script. |
1512876.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.