Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1551580
Preview
| Coordinates | 1551580.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C13 H14 N2 Ni O4 |
|---|---|
| Calculated formula | C13 H14 N2 Ni O4 |
| SMILES | [Ni]123Oc4c(cccc4)C=[N]2CC(O)C[N]3=C(C)C(=O)O1 |
| Title of publication | Nickel(II) Complex Derived from Unsymmetrical α-(2-Hydroxy-3-salicylideneaminopropyl)iminopropionic Acid |
| Authors of publication | MIKURIYA, Masahiro; TAKEUCHI, Masahiro; YOSHIOKA, Daisuke; MITSUHASHI, Ryoji |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2017 |
| Journal volume | 33 |
| Journal issue | 0 |
| Pages of publication | 45 |
| a | 9.364 ± 0.003 Å |
| b | 17.725 ± 0.005 Å |
| c | 7.753 ± 0.002 Å |
| α | 90° |
| β | 105.004 ± 0.005° |
| γ | 90° |
| Cell volume | 1242.9 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1586 |
| Residual factor for significantly intense reflections | 0.0601 |
| Weighted residual factors for significantly intense reflections | 0.1172 |
| Weighted residual factors for all reflections included in the refinement | 0.1444 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.909 |
| 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. |
1551580.cif |
| 216190 | 2019-06-20 | cif/ Adding structures of 1551580 via cif-deposit CGI script. |
1551580.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.