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Information card for entry 2007250
Preview
| Coordinates | 2007250.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | [3-(2-pyridyl)-1H-pyrazole]dichloropalladium(II) |
|---|---|
| Formula | C8 H7 Cl2 N3 Pd |
| Calculated formula | C8 H7 Cl2 N3 Pd |
| SMILES | [Pd]1([n]2c(c3[n]1[nH]cc3)cccc2)(Cl)Cl |
| Title of publication | [Pd(H<i>L</i>)Cl~2~] and [Pd<i>L</i>~2~], where H<i>L</i> is 2-(3-Pyrazolyl)pyridine |
| Authors of publication | Ward, Michael D.; Fleming, James S.; Psillakis, Elefteria; Jeffery, John C.; McCleverty, Jon A. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1998 |
| Journal volume | 54 |
| Journal issue | 5 |
| Pages of publication | 609 - 612 |
| a | 7.8069 ± 0.0012 Å |
| b | 15.768 ± 0.004 Å |
| c | 16.398 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2018.6 ± 0.7 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0284 |
| Residual factor for significantly intense reflections | 0.0236 |
| Weighted residual factors for all reflections | 0.0632 |
| Weighted residual factors for significantly intense reflections | 0.0619 |
| Goodness-of-fit parameter for all reflections | 1.108 |
| Goodness-of-fit parameter for significantly intense reflections | 1.169 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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