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Information card for entry 2011408
Preview
| Coordinates | 2011408.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | Ni(t-salpd) |
|---|---|
| Formula | C19 H24 N2 Ni O6 |
| Calculated formula | C19 H24 N2 Ni O6 |
| SMILES | c12c(cccc1C=[N]1CCC[N]3[Ni]1(O2)([OH2])(Oc1c(cccc1C=3)OC)[OH2])OC |
| Title of publication | Diaqua{6,6'-dimethoxy-2,2'-[propane-1,3-diylbis(nitrilomethylidyne-<i>N</i>)]diphenolato-<i>O</i>,<i>O</i>'}nickel(II) |
| Authors of publication | Gomes, Ligia; Sousa, Carla; Freire, Cristina; de Castro, Baltazar |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 10 |
| Pages of publication | 1201 - 1203 |
| a | 7.4077 ± 0.0011 Å |
| b | 22.064 ± 0.003 Å |
| c | 11.585 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1893.5 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.049 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for all reflections | 0.105 |
| Weighted residual factors for all reflections included in the refinement | 0.093 |
| Goodness-of-fit parameter for all reflections | 1.05 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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