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Information card for entry 1559973
Preview
| Coordinates | 1559973.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C29 H40 Cl2 N2 Ni O4 |
|---|---|
| Calculated formula | C29 H40 Cl2 N2 Ni O4 |
| SMILES | [Ni]123Oc4c(OCCCCCC)cccc4C=[N]3CC[N]2=Cc2c(c(OCCCCCC)ccc2)O1.ClCCl |
| Title of publication | 6,6′-{[Ethane-1,2-diylbis(azaneylylidene)]bis(methaneylylidene)}bis[2-(hexyloxy)phenolato] Nickel(II) |
| Authors of publication | Lukyanov, Daniil A.; Borisova, Anna S.; Levin, Oleg V. |
| Journal of publication | Molbank |
| Year of publication | 2020 |
| Journal volume | 2020 |
| Journal issue | 4 |
| Pages of publication | M1174 |
| a | 7.6002 ± 0.0003 Å |
| b | 13.6714 ± 0.0005 Å |
| c | 14.7436 ± 0.0005 Å |
| α | 97.065 ± 0.003° |
| β | 101.868 ± 0.003° |
| γ | 93.363 ± 0.003° |
| Cell volume | 1482.24 ± 0.1 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.051 |
| Residual factor for significantly intense reflections | 0.0355 |
| Weighted residual factors for significantly intense reflections | 0.0759 |
| Weighted residual factors for all reflections included in the refinement | 0.0833 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1559973.cif |
| 260831 | 2021-01-07 | cif/ Adding structures of 1559973 via cif-deposit CGI script. |
1559973.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.