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Information card for entry 2008973
Preview
| Coordinates | 2008973.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Bis[3-methyl-1-hydroxy-2(1H)-pyridinethioato-O,S]nickel(II) |
|---|---|
| Formula | C12 H12 N2 Ni O2 S2 |
| Calculated formula | C12 H12 N2 Ni O2 S2 |
| SMILES | [Ni]12([S]=C3C(=CC=CN3O1)C)[S]=c1n(O2)cccc1C |
| Title of publication | Bis[1-hydroxy-3-methylpyridine-2(1<i>H</i>)-thionato-<i>O</i>,<i>S</i>]nickel(II) |
| Authors of publication | S. Shanmuga Sundara Raj; Hoong-Kun Fun; De-Zhong Niu; Zai-Sheng Lu; Bai-Wang Sun; Bao-Lin Song; Xiao-Zeng You |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 9 |
| Pages of publication | 1410 - 1411 |
| a | 7.3437 ± 0.0003 Å |
| b | 24.6375 ± 0.0008 Å |
| c | 7.4493 ± 0.0003 Å |
| α | 90° |
| β | 93.295 ± 0.001° |
| γ | 90° |
| Cell volume | 1345.58 ± 0.09 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.062 |
| Residual factor for significantly intense reflections | 0.055 |
| Weighted residual factors for all reflections included in the refinement | 0.148 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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