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Information card for entry 2203302
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| Coordinates | 2203302.cif |
|---|---|
| Structure factors | 2203302.hkl |
| Original IUCr paper | HTML |
| Formula | C21 H41 Br3 N6 Ni2 O5 |
|---|---|
| Calculated formula | C21 H41 Br3 N6 Ni2 O5 |
| SMILES | [Ni]12([N](=Cc3c([O]24)c(cc(c3)C)C=[N]2[Ni]4([OH2])([OH2])([N](CC2)(C)C)Br)CC[N]1(C)C)(Br)(Br)[OH2].N#CC.N#CC.O |
| Title of publication | A dinuclear nickel(II) complex of the ligand 2,6-bis[2-(dimethylamino)ethyliminomethyl]-4-methylphenol |
| Authors of publication | Adams, Harry; Clunas, Scott; Fenton, David E. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 3 |
| Pages of publication | m338 - m339 |
| a | 10.5662 ± 0.0013 Å |
| b | 11.8911 ± 0.0015 Å |
| c | 25.158 ± 0.003 Å |
| α | 90° |
| β | 100.039 ± 0.002° |
| γ | 90° |
| Cell volume | 3112.5 ± 0.7 Å3 |
| Cell temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.0407 |
| Weighted residual factors for all reflections included in the refinement | 0.0875 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.87 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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