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Information card for entry 7220206
Preview
| Coordinates | 7220206.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | [(2,2'-bipyridine)di(oxolinicato-κ^2^O,O)cobalt(II)] tris methanol solvate |
|---|---|
| Chemical name | [(2,2'-bipyridine)di(5-ethyl-8-oxo-5,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carboxylato-κ^2^O,O)cobalt(II)] tris methanol solvate |
| Formula | C39 H40 Co N4 O13 |
| Calculated formula | C39 H40 Co N4 O13 |
| SMILES | [Co]123([O]=c4c5cc6OCOc6cc5n(cc4C(=O)O2)CC)([O]=c2c(cn(c4c2cc2OCOc2c4)CC)C(=O)O1)[n]1c(cccc1)c1[n]3cccc1.CO.OC.CO |
| Title of publication | Cobalt(II) complexes with quinolone antimicrobial drug oxolinic acid: Structure and biological perspectives |
| Authors of publication | Irgi, Eugenia; Geromichalos, Georges; Balala, Sofia; Kljun, Jakob; Kalogiannis, Stavros; Papadopoulos, Athanasios; Turel, Iztok; Psomas, George L. |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 10.2466 ± 0.0004 Å |
| b | 13.8031 ± 0.0006 Å |
| c | 14.1851 ± 0.0005 Å |
| α | 105.164 ± 0.002° |
| β | 101.176 ± 0.002° |
| γ | 96.925 ± 0.002° |
| Cell volume | 1868.36 ± 0.13 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 | 0.1239 |
| Residual factor for significantly intense reflections | 0.0793 |
| Weighted residual factors for significantly intense reflections | 0.2191 |
| Weighted residual factors for all reflections included in the refinement | 0.2462 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.118 |
| 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. |
7220206.cif |
| 171772 | 2015-12-31 | cif/ (antanas@kurmis) Removing surrounding qoutes ("'") from the _chemical_name_common tag values in multiple entries. |
7220206.cif |
| 135763 | 2015-05-08 | cif/ Adding structures of 7220206 via cif-deposit CGI script. |
7220206.cif |
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