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Information card for entry 7023666
Preview
| Coordinates | 7023666.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H8 Cl2 Cu N2 O4 |
|---|---|
| Calculated formula | C16 H8 Cl2 Cu N2 O4 |
| SMILES | [Cu]12([n]3c(c4[n]2cccc4)cccc3)OC2C(O1)=C(Cl)C(=O)C(=O)C=2Cl |
| Title of publication | Stacking of metal chelating rings with π-systems in mononuclear complexes of copper(ii) with 3,6-dichloro-2,5-dihydroxy-1,4-benzoquinone (chloranilic acid) and 2,2'-bipyridine ligands. |
| Authors of publication | Molčanov, Krešimir; Jurić, Marijana; Kojić-Prodić, Biserka |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 44 |
| Pages of publication | 15756 - 15765 |
| a | 25.0006 ± 0.0006 Å |
| b | 7.4597 ± 0.0002 Å |
| c | 17.2095 ± 0.0004 Å |
| α | 90° |
| β | 104.509 ± 0.003° |
| γ | 90° |
| Cell volume | 3107.16 ± 0.14 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for all reflections included in the refinement | 0.1057 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7023666.cif |
| 179941 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/36. |
7023666.cif |
| 90601 | 2013-11-18 | cif/ Adding structures of 7023665, 7023666, 7023667, 7023668, 7023669 via cif-deposit CGI script. |
7023666.cif |
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Users of the data should acknowledge the original authors of the
structural data.