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Information card for entry 4086539
Preview
| Coordinates | 4086539.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C43 H54 Li N3 Ni O |
|---|---|
| Calculated formula | C43 H54 Li N3 Ni O |
| Title of publication | β-Oxo-δ-diimine Nickel Complexes: A Comparison of Tautomeric Active Species in Ethylene Polymerization Catalysis |
| Authors of publication | Chiu, Hsin-Chun; Pearce, Adam J.; Dunn, Peter L.; Cramer, Christopher J.; Tonks, Ian A. |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| Journal volume | 35 |
| Journal issue | 12 |
| Pages of publication | 2076 |
| a | 18.643 ± 0.002 Å |
| b | 15.3367 ± 0.0017 Å |
| c | 15.6079 ± 0.0017 Å |
| α | 90° |
| β | 94.177 ± 0.002° |
| γ | 90° |
| Cell volume | 4450.8 ± 0.8 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0445 |
| Residual factor for significantly intense reflections | 0.0361 |
| Weighted residual factors for significantly intense reflections | 0.1007 |
| Weighted residual factors for all reflections included in the refinement | 0.105 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 0.71073 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. |
4086539.cif |
| 184941 | 2016-08-05 | cif/ Updating files of 4086532, 4086533, 4086534, 4086535, 4086536, 4086537, 4086538, 4086539 Original log message: Adding full bibliography for 4086532--4086539.cif. |
4086539.cif |
| 183494 | 2016-06-16 | cif/ Adding structures of 4086539 via cif-deposit CGI script. |
4086539.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.