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Information card for entry 4086960
Preview
| Coordinates | 4086960.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C66 H88 N6 Ni O |
|---|---|
| Calculated formula | C66 H88 N6 Ni O |
| SMILES | CC(C)c1cccc(c1/N=C/c1[n]2[Ni]3([n]4c(cccc4C=[N]3c3c(C(C)C)cccc3C(C)C)/C=N/c3c(C(C)C)cccc3C(C)C)[N](=Cc2ccc1)c1c(cccc1C(C)C)C(C)C)C(C)C.CCOCC |
| 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 | 15.1338 ± 0.0014 Å |
| b | 15.5824 ± 0.0018 Å |
| c | 15.638 ± 0.0017 Å |
| α | 111.886 ± 0.004° |
| β | 95.128 ± 0.004° |
| γ | 114.62 ± 0.003° |
| Cell volume | 2977.2 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0643 |
| Residual factor for significantly intense reflections | 0.0438 |
| Weighted residual factors for significantly intense reflections | 0.099 |
| Weighted residual factors for all reflections included in the refinement | 0.1082 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| 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. |
4086960.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. |
4086960.cif |
| 191195 | 2017-02-02 | cif/ Adding structures of 4086958, 4086959, 4086960, 4086961, 4086962, 4086963, 4086964 via cif-deposit CGI script. |
4086960.cif |
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Users of the data should acknowledge the original authors of the
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