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Information card for entry 7222278
Preview
| Coordinates | 7222278.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H40 N6 O6 Zn |
|---|---|
| Calculated formula | C40 H40 N6 O6 Zn |
| SMILES | c1c(cc[n]([Zn]23(Oc4c(C=[N]2O)ccc(c4)O)([N](=Cc2ccc(cc2O3)O)O)[n]2ccc(cc2)CCCc2ccncc2)c1)CCCc1ccncc1 |
| 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 | 7.7539 ± 0.0006 Å |
| b | 9.7058 ± 0.0008 Å |
| c | 13.6203 ± 0.001 Å |
| α | 75.256 ± 0.005° |
| β | 79.97 ± 0.005° |
| γ | 72.318 ± 0.005° |
| Cell volume | 939.22 ± 0.13 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 | 0.0491 |
| Residual factor for significantly intense reflections | 0.0358 |
| Weighted residual factors for significantly intense reflections | 0.0818 |
| Weighted residual factors for all reflections included in the refinement | 0.0882 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| 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. |
7222278.cif |
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Users of the data should acknowledge the original authors of the
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