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Information card for entry 4134695
Preview
| Coordinates | 4134695.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C60 H120 N16 P4 U |
|---|---|
| Calculated formula | C60 H120 N16 P4 U |
| Title of publication | Two-Electron Oxidative Atom Transfer at a Homoleptic, Tetravalent Uranium Complex. |
| Authors of publication | Rice, Natalie T.; McCabe, Karl; Bacsa, John; Maron, Laurent; La Pierre, Henry S. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| Journal volume | 142 |
| Journal issue | 16 |
| Pages of publication | 7368 - 7373 |
| a | 20.6977 ± 0.0009 Å |
| b | 20.6977 ± 0.0009 Å |
| c | 14.1093 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 5234.6 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 146 |
| Hermann-Mauguin space group symbol | R 3 :H |
| Hall space group symbol | R 3 |
| Residual factor for all reflections | 0.0579 |
| Residual factor for significantly intense reflections | 0.057 |
| Weighted residual factors for significantly intense reflections | 0.1453 |
| Weighted residual factors for all reflections included in the refinement | 0.1469 |
| 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 |
|---|---|---|---|
| 301835 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/13/ Each referenced PubChem compound corresponds to the full crystal structure. |
4134695.cif |
| 251462 | 2020-05-04 | cif/ Updating files of 4134695, 4134696, 4134697 Original log message: Adding full bibliography for 4134695--4134697.cif. |
4134695.cif |
| 250721 | 2020-04-14 | cif/ Adding structures of 4134695 via cif-deposit CGI script. |
4134695.cif |
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Users of the data should acknowledge the original authors of the
structural data.