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Information card for entry 2011129
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| Coordinates | 2011129.cif |
|---|---|
| Structure factors | 2011129.hkl |
| Original IUCr paper | HTML |
| Formula | C22 H22 N4 Ni O4 |
|---|---|
| Calculated formula | C22 H22 N4 Ni O4 |
| SMILES | [Ni]12([n]3cc(ccc3)C#N)([n]3cc(ccc3)C#N)([O]=C(C)C=C(O1)C)[O]=C(C)C=C(O2)C |
| Title of publication | Adducts of nickel(II) acetylacetonate chelating with heterocyclic bases: 3-cyanopyridine and 4-cyanopyridine |
| Authors of publication | Zukerman-Schpector, J.; Trindade, Antonio Carlos; Dunstan, P. O. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 7 |
| Pages of publication | 763 - 765 |
| a | 7.8295 ± 0.0006 Å |
| b | 19.3334 ± 0.0018 Å |
| c | 8.1244 ± 0.001 Å |
| α | 90° |
| β | 116.019 ± 0.008° |
| γ | 90° |
| Cell volume | 1105.2 ± 0.2 Å3 |
| Cell temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.201 |
| Residual factor for significantly intense reflections | 0.045 |
| Weighted residual factors for all reflections included in the refinement | 0.115 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.953 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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