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Information card for entry 7222275
Preview
| Coordinates | 7222275.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H18 Cu N2 O7 S |
|---|---|
| Calculated formula | C16 H18 Cu N2 O7 S |
| SMILES | [Cu]12([N](O)=Cc3c(O1)cc(O)cc3)[N](=Cc1c(O2)cc(O)cc1)O.S(=O)(C)C |
| 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 | 8.3981 ± 0.0007 Å |
| b | 9.6705 ± 0.0009 Å |
| c | 12.5186 ± 0.0009 Å |
| α | 73.944 ± 0.007° |
| β | 86.252 ± 0.006° |
| γ | 67.507 ± 0.009° |
| Cell volume | 901.76 ± 0.15 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 all reflections | 0.0651 |
| Residual factor for significantly intense reflections | 0.043 |
| Weighted residual factors for significantly intense reflections | 0.0734 |
| Weighted residual factors for all reflections included in the refinement | 0.0852 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| 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. |
7222275.cif |
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Users of the data should acknowledge the original authors of the
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