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Information card for entry 2203690
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| Coordinates | 2203690.cif |
|---|---|
| Structure factors | 2203690.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(2-formylpyridine semicabazonato)nickel(II) |
|---|---|
| Formula | C14 H14 N8 Ni O2 |
| Calculated formula | C14 H14 N8 Ni O2 |
| SMILES | [Ni]1234(OC(=N[N]2=Cc2[n]1cccc2)N)OC(=N[N]4=Cc1[n]3cccc1)N |
| Title of publication | Bis(2-formylpyridine semicabazonato)nickel(II) |
| Authors of publication | Jian Zhou; Zhen-Feng Chen; Xian-Wen Wang; Yan-Shu Tan; Hong Liang; Yong Zhang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 5 |
| Pages of publication | m568 - m570 |
| a | 8.2766 ± 0.0012 Å |
| b | 8.2766 ± 0.0012 Å |
| c | 23.648 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1619.9 ± 0.4 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 78 |
| Hermann-Mauguin space group symbol | P 43 |
| Hall space group symbol | P 4cw |
| Residual factor for all reflections | 0.027 |
| Residual factor for significantly intense reflections | 0.026 |
| Weighted residual factors for significantly intense reflections | 0.055 |
| Weighted residual factors for all reflections included in the refinement | 0.056 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.12 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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