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Information card for entry 2006064
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| Coordinates | 2006064.cif |
|---|---|
| Structure factors | 2006064.hkl |
| Original IUCr paper | HTML |
| Formula | C8 H24 F12 N4 Ni P2 S2 |
|---|---|
| Calculated formula | C8 H24 F12 N4 Ni P2 S2 |
| SMILES | [P](F)(F)(F)(F)(F)[F-].C1C[S]2CC[NH2][Ni]342([NH2]1)[NH2]CC[S]4CC[NH2]3.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Bis[bis(2-aminoethyl-<i>N</i>)sulfide-<i>S</i>]nickel(II) Bis(hexafluorophosphate) |
| Authors of publication | Blake, A. J.; Danks, J. P.; Parsons, S.; Schröder, M. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1997 |
| Journal volume | 53 |
| Journal issue | 4 |
| Pages of publication | 411 - 413 |
| a | 17.582 ± 0.012 Å |
| b | 9.451 ± 0.008 Å |
| c | 24.558 ± 0.017 Å |
| α | 90° |
| β | 98.88 ± 0.08° |
| γ | 90° |
| Cell volume | 4032 ± 5 Å3 |
| Cell temperature | 150 ± 0.2 K |
| Ambient diffraction temperature | 150 ± 0.2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0907 |
| Residual factor for significantly intense reflections | 0.0647 |
| Weighted residual factors for all reflections | 0.302 |
| Weighted residual factors for significantly intense reflections | 0.2062 |
| Goodness-of-fit parameter for all reflections | 1.044 |
| Goodness-of-fit parameter for significantly intense reflections | 0.856 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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Users of the data should acknowledge the original authors of the
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