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Information card for entry 7225648
Preview
| Coordinates | 7225648.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H18 Cl6 Cu2 N2 O16 |
|---|---|
| Calculated formula | C28 H18 Cl6 Cu2 N2 O16 |
| SMILES | C12C(=C(Cl)C3C(=C2Cl)O[Cu]2([O]=3)(OC3C(=C(C(=O)C(=O)C=3Cl)Cl)O2)[OH2])O[Cu]2(OC3C(O2)=C(C(=O)C(=O)C=3Cl)Cl)([O]=1)[OH2].[nH+]1ccc(cc1)c1cc[nH+]cc1.O.O |
| Title of publication | From mononuclear to linear one-dimensional coordination species of copper(II)-chloranilate: design and characterization |
| Authors of publication | Juric, Marijana; Molcanov, Kresimir; Zilic, Dijana; Kojic-Prodic, Biserka |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 9.3314 ± 0.0005 Å |
| b | 9.488 ± 0.0004 Å |
| c | 10.3517 ± 0.0006 Å |
| α | 80.069 ± 0.004° |
| β | 89.845 ± 0.004° |
| γ | 66.524 ± 0.005° |
| Cell volume | 825.83 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0356 |
| Weighted residual factors for all reflections included in the refinement | 0.1053 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54179 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183878 (current) | 2016-06-23 | cif/ Adding structures of 7225647, 7225648, 7225649, 7225650, 7225651, 7225652 via cif-deposit CGI script. |
7225648.cif |
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Users of the data should acknowledge the original authors of the
structural data.