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Information card for entry 4130929
Preview
| Coordinates | 4130929.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C38 H79 Ce Li N4 O5 Si3 |
|---|---|
| Calculated formula | C38 H79 Ce Li N4 O5 Si3 |
| Title of publication | Formation of a Ce(IV) Oxo Complex via Inner Sphere Nitrate Reduction. |
| Authors of publication | Damon, Peter L.; Wu, Guang; Kaltsoyannis, Nikolas; Hayton, Trevor W. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2016 |
| Journal volume | 138 |
| Journal issue | 39 |
| Pages of publication | 12743 - 12746 |
| a | 11.745 ± 0.003 Å |
| b | 12.572 ± 0.003 Å |
| c | 18.886 ± 0.004 Å |
| α | 85.344 ± 0.004° |
| β | 78.547 ± 0.004° |
| γ | 63 ± 0.004° |
| Cell volume | 2435.1 ± 1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0517 |
| Residual factor for significantly intense reflections | 0.0362 |
| Weighted residual factors for significantly intense reflections | 0.096 |
| Weighted residual factors for all reflections included in the refinement | 0.1105 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.784 |
| 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. |
4130929.cif |
| 241267 | 2019-11-25 | cif/ Adding structures of 4130929, 4130930, 4130931 via cif-deposit CGI script. |
4130929.cif |
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Users of the data should acknowledge the original authors of the
structural data.