Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2242005
Preview
| Coordinates | 2242005.cif |
|---|---|
| Structure factors | 2242005.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-dichloroterephthalic acid (1/1) |
|---|---|
| Formula | C34 H26 Cl2 N8 Ni O6 |
| Calculated formula | C34 H26 Cl2 N8 Ni O6 |
| SMILES | c12cccc[n]2[Ni]234([N](=C1C)N=C(c1ccncc1)O3)[n]1c(C(=[N]2N=C(O4)c2ccncc2)C)cccc1.c1c(Cl)c(C(=O)O)cc(c1C(=O)O)Cl |
| 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 | 7.9596 ± 0.0018 Å |
| b | 8.76 ± 0.0017 Å |
| c | 24.121 ± 0.004 Å |
| α | 76.138 ± 0.008° |
| β | 81.803 ± 0.008° |
| γ | 87.253 ± 0.009° |
| Cell volume | 1616 ± 0.6 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 | 0.0569 |
| Residual factor for significantly intense reflections | 0.0527 |
| Weighted residual factors for significantly intense reflections | 0.1256 |
| Weighted residual factors for all reflections included in the refinement | 0.1298 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.133 |
| 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. |
2242005.cif 2242005.hkl |
| 190001 | 2017-01-07 | cif/ hkl/ Adding structures of 2242005, 2242006 via cif-deposit CGI script. |
2242005.cif 2242005.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.