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Information card for entry 2011111
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| Coordinates | 2011111.cif |
|---|---|
| Structure factors | 2011111.hkl |
| Original IUCr paper | HTML |
| Chemical name | trans-Bis(thioacetato-S)bis(triphenylphosphine-P)nickel(II) |
|---|---|
| Formula | C40 H36 Ni O2 P2 S2 |
| Calculated formula | C40 H36 Ni O2 P2 S2 |
| SMILES | c1(ccccc1)[P]([Ni]([P](c1ccccc1)(c1ccccc1)c1ccccc1)(SC(=O)C)SC(=O)C)(c1ccccc1)c1ccccc1 |
| Title of publication | <i>trans</i>-Bis(thioacetato-<i>S</i>)bis(triphenylphosphine-<i>P</i>)nickel(II) |
| Authors of publication | Deivaraj, Theivanayagam C.; Vittal, Jagadese J. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 7 |
| Pages of publication | 775 - 776 |
| a | 9.7364 ± 0.0005 Å |
| b | 10.2509 ± 0.0005 Å |
| c | 10.9197 ± 0.0006 Å |
| α | 106.141 ± 0.0013° |
| β | 111.259 ± 0.0014° |
| γ | 107.593 ± 0.002° |
| Cell volume | 871.17 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.062 |
| Residual factor for significantly intense reflections | 0.043 |
| Weighted residual factors for all reflections included in the refinement | 0.106 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| 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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