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Information card for entry 7222277
Preview
| Coordinates | 7222277.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H26 N4 Ni O8 |
|---|---|
| Calculated formula | C20 H26 N4 Ni O8 |
| SMILES | c12cc(ccc2C=[N](O)[Ni]2(O1)[N](=Cc1c(cc(cc1)O)O2)O)O.O=CN(C)C.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 | 6.2331 ± 0.0006 Å |
| b | 7.2148 ± 0.0006 Å |
| c | 13.115 ± 0.0012 Å |
| α | 90.288 ± 0.005° |
| β | 101.143 ± 0.005° |
| γ | 100.988 ± 0.005° |
| Cell volume | 567.52 ± 0.09 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 | 0.0754 |
| Residual factor for significantly intense reflections | 0.0738 |
| Weighted residual factors for significantly intense reflections | 0.188 |
| Weighted residual factors for all reflections included in the refinement | 0.1888 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| 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. |
7222277.cif |
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Users of the data should acknowledge the original authors of the
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