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Information card for entry 1558080
Preview
| Coordinates | 1558080.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C56 H128 Ce N16 P4 |
|---|---|
| Calculated formula | C56 H128 Ce N16 P4 |
| SMILES | C1CN(C(C)(C)C)P(=N[Ce](N=P2(N(CCN2C(C)(C)C)C(C)(C)C)N(CC)CC)(N=P2(N(CCN2C(C)(C)C)C(C)(C)C)N(CC)CC)N=P2(N(CCN2C(C)(C)C)C(C)(C)C)N(CC)CC)(N1C(C)(C)C)N(CC)CC |
| Title of publication | Comparison of tetravalent cerium and terbium ions in a conserved, homoleptic imidophosphorane ligand field. |
| Authors of publication | Rice, Natalie T.; Popov, Ivan A.; Russo, Dominic R.; Gompa, Thaige P.; Ramanathan, Arun; Bacsa, John; Batista, Enrique R.; Yang, Ping; La Pierre, Henry S. |
| Journal of publication | Chemical science |
| Year of publication | 2020 |
| Journal volume | 11 |
| Journal issue | 24 |
| Pages of publication | 6149 - 6159 |
| a | 13.3726 ± 0.001 Å |
| b | 13.3726 ± 0.001 Å |
| c | 21.0511 ± 0.0017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3764.5 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 82 |
| Hermann-Mauguin space group symbol | I -4 |
| Hall space group symbol | I -4 |
| Residual factor for all reflections | 0.0266 |
| Residual factor for significantly intense reflections | 0.0263 |
| Weighted residual factors for significantly intense reflections | 0.0689 |
| Weighted residual factors for all reflections included in the refinement | 0.0692 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1558080.cif |
| 256038 | 2020-09-06 | cif/ Updating files of 1558079, 1558080 Original log message: Adding full bibliography for 1558079--1558080.cif. |
1558080.cif |
| 253832 | 2020-07-06 | cif/ Updating files of 1558079, 1558080 Original log message: Adding full bibliography for 1558079--1558080.cif. |
1558080.cif |
| 252158 | 2020-05-19 | cif/ Adding structures of 1558079, 1558080 via cif-deposit CGI script. |
1558080.cif |
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