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Information card for entry 7220196
Preview
| Coordinates | 7220196.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | bis(2-hydroxy-5-methyl-acetophenone)copper(II).dihydrate |
|---|---|
| Formula | C18 H22 Cu O6 |
| Calculated formula | C18 H22 Cu O6 |
| SMILES | c12c(ccc(c1)C)O[Cu]1(Oc3c(cc(cc3)C)C(=[O]1)C)[O]=C2C.O.O |
| 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 | 23.349 ± 0.004 Å |
| b | 4.8974 ± 0.0007 Å |
| c | 18.972 ± 0.003 Å |
| α | 90° |
| β | 125.037 ± 0.005° |
| γ | 90° |
| Cell volume | 1776.3 ± 0.5 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0876 |
| Residual factor for significantly intense reflections | 0.0445 |
| Weighted residual factors for all reflections | 0.0915 |
| Weighted residual factors for significantly intense reflections | 0.0809 |
| Weighted residual factors for all reflections included in the refinement | 0.0809 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9975 |
| 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. |
7220196.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. |
7220196.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7220196.cif |
| 135757 | 2015-05-08 | cif/ Adding structures of 7220195, 7220196, 7220197, 7220198 via cif-deposit CGI script. |
7220196.cif |
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Users of the data should acknowledge the original authors of the
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