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Information card for entry 4301859
Preview
| Coordinates | 4301859.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C36 H40 N O2 U0.5 |
|---|---|
| Calculated formula | C36 H40 N O2 U0.5 |
| Title of publication | Exploring the Effects of Reduction or Lewis Acid Coordination on the U=O Bond of the Uranyl Moiety |
| Authors of publication | Trevor W. Hayton; Guang Wu |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2009 |
| Journal volume | 48 |
| Pages of publication | 3065 - 3072 |
| a | 10.2337 ± 0.0019 Å |
| b | 11.042 ± 0.002 Å |
| c | 15.124 ± 0.003 Å |
| α | 70.187 ± 0.003° |
| β | 88.089 ± 0.003° |
| γ | 73.812 ± 0.003° |
| Cell volume | 1540.6 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0704 |
| Residual factor for significantly intense reflections | 0.0586 |
| Weighted residual factors for significantly intense reflections | 0.1388 |
| Weighted residual factors for all reflections included in the refinement | 0.1637 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.968 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301836 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure. |
4301859.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4301859.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4301859.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4301859.cif |
| 1054 | 2010-03-28 | cif/4/ Adding data extracted in Inorg-Chem-2009_01-10/ processing. |
4301859.cif |
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Users of the data should acknowledge the original authors of the
structural data.