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Information card for entry 2012290
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| Coordinates | 2012290.cif |
|---|---|
| Structure factors | 2012290.hkl |
| Original IUCr paper | HTML |
| Chemical name | trans Diaqua(biquinoline N,N')(nitrato O,O')-Nickel(II) nitrate,hydrate |
|---|---|
| Formula | C18 H18 N4 Ni O9 |
| Calculated formula | C18 H18 N4 Ni O9 |
| SMILES | [Ni]12([n]3c(c4[n]1c1ccccc1cc4)ccc1ccccc31)(ON(=[O]2)=O)([OH2])[OH2].N(=O)(=O)[O-].O |
| Title of publication | <i>trans</i>-Diaqua(2,2'-biquinoline-<i>N</i>,<i>N</i>')(nitrato-<i>O</i>,<i>O</i>')nickel(II) nitrate hydrate |
| Authors of publication | Freire, Eleonora; Baggio, Sergio; Goeta, Andrés; Baggio, Ricardo |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 11 |
| Pages of publication | 1268 - 1270 |
| a | 8.425 ± 0.0007 Å |
| b | 11.2156 ± 0.0007 Å |
| c | 20.8889 ± 0.0014 Å |
| α | 90° |
| β | 94.499 ± 0.003° |
| γ | 90° |
| Cell volume | 1967.7 ± 0.2 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.031 |
| Residual factor for significantly intense reflections | 0.025 |
| Weighted residual factors for all reflections included in the refinement | 0.064 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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