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Information card for entry 7222274
Preview
| Coordinates | 7222274.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H26 Cu N4 O8 |
|---|---|
| Calculated formula | C20 H26 Cu N4 O8 |
| SMILES | CN(C=O)C.[Cu]12(Oc3c(C=[N]1O)ccc(c3)O)[N](=Cc1ccc(cc1O2)O)O.CN(C)C=O |
| Title of publication | Study on divalent copper, nickel and zinc model complexes for fluoride ions detection |
| Authors of publication | Baruah, Jubaraj Bikash; Tarai, Arup |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 6.1974 ± 0.0007 Å |
| b | 7.3044 ± 0.0009 Å |
| c | 13.1416 ± 0.0016 Å |
| α | 91.394 ± 0.005° |
| β | 102.247 ± 0.005° |
| γ | 101.071 ± 0.005° |
| Cell volume | 569.23 ± 0.12 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0407 |
| Residual factor for significantly intense reflections | 0.0387 |
| Weighted residual factors for significantly intense reflections | 0.1184 |
| Weighted residual factors for all reflections included in the refinement | 0.1222 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 158249 (current) | 2015-09-23 | cif/ Adding structures of 7222273, 7222274, 7222275, 7222276, 7222277, 7222278, 7222279 via cif-deposit CGI script. |
7222274.cif |
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Users of the data should acknowledge the original authors of the
structural data.