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Information card for entry 2200329
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| Coordinates | 2200329.cif |
|---|---|
| Structure factors | 2200329.hkl |
| Original IUCr paper | HTML |
| Formula | C4 H14 Br2 N2 Ni O4 |
|---|---|
| Calculated formula | C4 H14 Br2 N2 Ni O4 |
| SMILES | C(C)#[N][Ni]([OH2])([N]#CC)([OH2])([OH2])[OH2].[Br-].[Br-] |
| Title of publication | <i>trans</i>-Bis(acetonitrile-<i>N</i>)tetraaquanickel(II) dibromide |
| Authors of publication | Assoumatine, Tokouré; Stoeckli-Evans, Helen |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 5 |
| Pages of publication | m179 - m180 |
| a | 6.8839 ± 0.0011 Å |
| b | 12.463 ± 0.0017 Å |
| c | 7.9173 ± 0.0012 Å |
| α | 90° |
| β | 111.127 ± 0.018° |
| γ | 90° |
| Cell volume | 633.6 ± 0.18 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0474 |
| Residual factor for significantly intense reflections | 0.0397 |
| Weighted residual factors for all reflections included in the refinement | 0.1122 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
Version history
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