Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7220197
Preview
| Coordinates | 7220197.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | bis(2-hydroxy-5-nitro-benzaldehydato)-bisdimethanol copper(II) |
|---|---|
| Formula | C16 H16 Cu N2 O10 |
| Calculated formula | C16 H16 Cu N2 O10 |
| SMILES | C1=[O][Cu]2(Oc3c1cc(cc3)N(=O)=O)(Oc1c(cc(cc1)N(=O)=O)C=[O]2)([OH]C)[OH]C |
| Title of publication | Copper(II) complexes of salicylaldehydes and 2-hydroxyphenones: Synthesis, Structure, Thermal decomposition study and Interaction with calf–thymus DNA and albumins. |
| Authors of publication | Zianna, Ariadne; Psomas, George L.; Hatzidimitriou, Antonios; Lalia-Kantouri, Maria |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 5.2245 ± 0.0003 Å |
| b | 7.5079 ± 0.0005 Å |
| c | 11.9914 ± 0.0007 Å |
| α | 93.397 ± 0.003° |
| β | 94.312 ± 0.003° |
| γ | 102.049 ± 0.003° |
| Cell volume | 457.34 ± 0.05 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 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 | 0.0444 |
| Residual factor for significantly intense reflections | 0.0328 |
| Weighted residual factors for all reflections | 0.0804 |
| Weighted residual factors for significantly intense reflections | 0.0772 |
| Weighted residual factors for all reflections included in the refinement | 0.0772 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9998 |
| 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 |
|---|---|---|---|
| 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. |
7220197.cif |
| 176429 | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
7220197.cif |
| 135757 | 2015-05-08 | cif/ Adding structures of 7220195, 7220196, 7220197, 7220198 via cif-deposit CGI script. |
7220197.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.