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Information card for entry 4128743
Preview
| Coordinates | 4128743.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C69 H67 B F24 N4 O4 Th |
|---|---|
| Calculated formula | C69 H67 B F24 N4 O4 Th |
| Title of publication | Multiple Bonding in Lanthanides and Actinides: Direct Comparison of Covalency in Thorium(IV)- and Cerium(IV)-Imido Complexes. |
| Authors of publication | Cheisson, Thibault; Kersey, Kyle D.; Mahieu, Nolwenn; McSkimming, Alex; Gau, Michael R.; Carroll, Patrick J.; Schelter, Eric J. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| Journal volume | 141 |
| Journal issue | 23 |
| Pages of publication | 9185 - 9190 |
| a | 19.401 ± 0.0016 Å |
| b | 19.4715 ± 0.0016 Å |
| c | 18.6191 ± 0.0015 Å |
| α | 90° |
| β | 97.543 ± 0.004° |
| γ | 90° |
| Cell volume | 6972.8 ± 1 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0575 |
| Residual factor for significantly intense reflections | 0.045 |
| Weighted residual factors for significantly intense reflections | 0.0892 |
| Weighted residual factors for all reflections included in the refinement | 0.0966 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301834 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
4128743.cif |
| 221813 | 2019-11-03 | cif/ Adding structures of 4128738, 4128739, 4128740, 4128741, 4128742, 4128743 via cif-deposit CGI script. |
4128743.cif |
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Users of the data should acknowledge the original authors of the
structural data.