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Information card for entry 2005035
Preview
| Coordinates | 2005035.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Bis[1-hydroxy-2(1H)-pyridinethionato-O,S']palladium(II). |
|---|---|
| Formula | C10 H8 N2 O2 Pd S2 |
| Calculated formula | C10 H8 N2 O2 Pd S2 |
| SMILES | [Pd]12([O]=n3c(S1)cccc3)Sc1n(=[O]2)cccc1 |
| Title of publication | Bis[1-hydroxy-2(1<i>H</i>)-pyridinethionato-<i>O</i>,<i>S</i>]palladium(II) |
| Authors of publication | Song, B.-L.; Xiong, R.-G.; Wang, H.; Zuo, J.-L.; You, X.-Z.; Fun, H.-K.; Sivakumar, K. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 6 |
| Pages of publication | 1403 - 1405 |
| a | 8.682 ± 0.001 Å |
| b | 13.983 ± 0.001 Å |
| c | 9.956 ± 0.001 Å |
| α | 90° |
| β | 96.66 ± 0.01° |
| γ | 90° |
| Cell volume | 1200.5 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 all reflections | 0.0288 |
| Residual factor for significantly intense reflections | 0.0257 |
| Weighted residual factors for all reflections | 0.0702 |
| Weighted residual factors for significantly intense reflections | 0.0687 |
| Goodness-of-fit parameter for all reflections | 1.024 |
| Goodness-of-fit parameter for significantly intense reflections | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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