Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7229338
Preview
| Coordinates | 7229338.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H22 Cd N4 O4 |
|---|---|
| Calculated formula | C16 H22 Cd N4 O4 |
| SMILES | [Cd]123(OC(=O)CC#N)(OC(=[O]1)C)[n]1ccccc1C(=[N]2CC[N]3(C)C)C |
| Title of publication | Targeted synthesis of cadmium(ii) Schiff base complexes towards corrosion inhibition on mild steel |
| Authors of publication | Das, Mriganka; Biswas, Amrita; Kundu, Bidyut Kumar; Mobin, Shaikh M.; Udayabhanu, G.; Mukhopadhyay, Suman |
| Journal of publication | RSC Adv. |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 77 |
| Pages of publication | 48569 |
| a | 8.4381 ± 0.0001 Å |
| b | 10.1003 ± 0.0003 Å |
| c | 11.303 ± 0.0002 Å |
| α | 76.078 ± 0.002° |
| β | 81.463 ± 0.002° |
| γ | 89.501 ± 0.002° |
| Cell volume | 924.3 ± 0.04 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0181 |
| Residual factor for significantly intense reflections | 0.0177 |
| Weighted residual factors for significantly intense reflections | 0.0451 |
| Weighted residual factors for all reflections included in the refinement | 0.0453 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.124 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7229338.cif |
| 202049 | 2017-10-17 | cif/ Adding structures of 7229336, 7229337, 7229338, 7229339, 7229340 via cif-deposit CGI script. |
7229338.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.