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Information card for entry 4086964
Preview
| Coordinates | 4086964.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C39 H51 N3 Ni |
|---|---|
| Calculated formula | C39 H51 N3 Ni |
| SMILES | [Ni]1234([n]5c(cccc5/C=N/c5c(cccc5C(C)C)C(C)C)C=[N]1c1c(cccc1C(C)C)C(C)C)[CH]1CC[CH]2=[CH]3CC[CH]4=1 |
| Title of publication | Coordination Chemistry and Reactivity of Bis(aldimino)pyridine Nickel Complexes in Four Different Oxidation States |
| Authors of publication | Reed, Blake R.; Yousif, Maryam; Lord, Richard L.; McKinnon, Meaghan; Rochford, Jonathan; Groysman, Stanislav |
| Journal of publication | Organometallics |
| Year of publication | 2017 |
| Journal volume | 36 |
| Journal issue | 3 |
| Pages of publication | 582 |
| a | 8.7274 ± 0.0011 Å |
| b | 13.7311 ± 0.0016 Å |
| c | 15.2359 ± 0.0017 Å |
| α | 71.069 ± 0.005° |
| β | 79.57 ± 0.006° |
| γ | 72.234 ± 0.006° |
| Cell volume | 1637.9 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0686 |
| Residual factor for significantly intense reflections | 0.0426 |
| Weighted residual factors for significantly intense reflections | 0.0834 |
| Weighted residual factors for all reflections included in the refinement | 0.0935 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
4086964.cif |
| 193624 | 2017-03-04 | cif/ Updating files of 4086958, 4086959, 4086960, 4086961, 4086962, 4086963, 4086964 Original log message: Adding full bibliography for 4086958--4086964.cif. |
4086964.cif |
| 191195 | 2017-02-02 | cif/ Adding structures of 4086958, 4086959, 4086960, 4086961, 4086962, 4086963, 4086964 via cif-deposit CGI script. |
4086964.cif |
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Users of the data should acknowledge the original authors of the
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