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Information card for entry 2242006
Preview
| Coordinates | 2242006.cif |
|---|---|
| Structure factors | 2242006.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis{<i>N</i>-[1-(pyridin-2-yl-κ<i>N</i>)ethyl]pyridine-4-carbohydrazonato-κ^2^<i>N</i>',<i>O</i>}nickel(II)–2,5-dibromoterephthalic acid (1/1) |
|---|---|
| Formula | C34 H26 Br2 N8 Ni O6 |
| Calculated formula | C34 H26 Br2 N8 Ni O6 |
| SMILES | c12C(=[N]3N=C(c4ccncc4)O[Ni]453([n]1cccc2)[n]1c(cccc1)C(=[N]4N=C(O5)c1ccncc1)C)C.OC(=O)c1c(Br)cc(c(Br)c1)C(=O)O |
| Title of publication | Crystal structures of two nickel compounds comprising neutral Ni^II^ hydrazone complexes and dicarboxylic acids |
| Authors of publication | Nakanishi, Takumi; Sato, Osamu |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 2 |
| Pages of publication | 103 - 106 |
| a | 7.874 ± 0.0014 Å |
| b | 8.9716 ± 0.0015 Å |
| c | 24.233 ± 0.004 Å |
| α | 75.04 ± 0.009° |
| β | 82.162 ± 0.01° |
| γ | 86.007 ± 0.011° |
| Cell volume | 1637.3 ± 0.5 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 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 | 0.0582 |
| Residual factor for significantly intense reflections | 0.0505 |
| Weighted residual factors for significantly intense reflections | 0.103 |
| Weighted residual factors for all reflections included in the refinement | 0.1073 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.141 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2242006.cif 2242006.hkl |
| 190001 | 2017-01-07 | cif/ hkl/ Adding structures of 2242005, 2242006 via cif-deposit CGI script. |
2242006.cif 2242006.hkl |
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Users of the data should acknowledge the original authors of the
structural data.