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Information card for entry 4088048
Preview
| Coordinates | 4088048.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C43 H73 N3 P2 |
|---|---|
| Calculated formula | C43 H73 N3 P2 |
| Title of publication | η5–η1Switch in Divalent Phosphaytterbocene Complexes with Neutral Iminophosphoranyl Pincer Ligands: Solid-State Structures and Solution NMR1JYb–PCoupling Constants |
| Authors of publication | Cheisson, Thibault; Auffrant, Audrey; Nocton, Grégory |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 22 |
| Pages of publication | 5470 |
| a | 10.404 ± 0.001 Å |
| b | 10.463 ± 0.001 Å |
| c | 19.122 ± 0.001 Å |
| α | 95.145 ± 0.001° |
| β | 98.591 ± 0.001° |
| γ | 100.903 ± 0.001° |
| Cell volume | 2006.1 ± 0.3 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.069 |
| Residual factor for significantly intense reflections | 0.057 |
| Weighted residual factors for significantly intense reflections | 0.1259 |
| Weighted residual factors for all reflections included in the refinement | 0.1322 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.154 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4088048.cif |
| 237231 | 2019-11-24 | cif/ Adding structures of 4088047, 4088048, 4088049, 4088050, 4088051, 4088052, 4088053, 4088054 via cif-deposit CGI script. |
4088048.cif |
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.
Users of the data should acknowledge the original authors of the
structural data.