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Information card for entry 2010576
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| Coordinates | 2010576.cif |
|---|---|
| Structure factors | 2010576.hkl |
| Original IUCr paper | HTML |
| Chemical name | Pentane-2,4-dithione[bis(diphenylphosphino)propane]nickel(II) hexafluorophosphate. |
|---|---|
| Formula | C32 H33 F6 Ni P3 S2 |
| Calculated formula | C32 H33 F6 Ni P3 S2 |
| SMILES | C1CC[P]([Ni]2(SC(=CC(=[S]2)C)C)[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | [Bis(diphenylphosphino)alkane](pentane-2,4-dithionato) complexes of nickel(II) |
| Authors of publication | Boyd, Peter D. W.; Rickard, Clifton E. F.; Cavell, Kingsley J. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 1 |
| Pages of publication | e16 - e18 |
| a | 10.0345 ± 0.0002 Å |
| b | 15.8632 ± 0.0002 Å |
| c | 10.8058 ± 0.0002 Å |
| α | 90° |
| β | 94.14° |
| γ | 90° |
| Cell volume | 1715.57 ± 0.05 Å3 |
| Cell temperature | 203 ± 2 K |
| Ambient diffraction temperature | 203 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.0505 |
| Residual factor for significantly intense reflections | 0.0346 |
| Weighted residual factors for all reflections included in the refinement | 0.0952 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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