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Information card for entry 2200778
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| Coordinates | 2200778.cif |
|---|---|
| Structure factors | 2200778.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dichlorobis(3,4,5,6-tetrahydropyrimidinium-2-thiolato-S)cobalt(II) |
|---|---|
| Formula | C8 H16 Cl2 Co N4 S2 |
| Calculated formula | C8 H16 Cl2 Co N4 S2 |
| SMILES | [Co]([S]=C1NCCCN1)([S]=C1NCCCN1)(Cl)Cl |
| Title of publication | Dichlorobis(3,4,5,6-tetrahydropyrimidinium-2-thiolato-<i>S</i>)cobalt(II) |
| Authors of publication | Ibrahim Abdul Razak; Anwar Usman; Hoong-Kun Fun; Bohari M. Yamin; Goh Wooi Keat |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 11 |
| Pages of publication | m527 - m528 |
| a | 32.0245 ± 0.0014 Å |
| b | 7.1329 ± 0.0003 Å |
| c | 14.6141 ± 0.0006 Å |
| α | 90° |
| β | 116.864 ± 0.001° |
| γ | 90° |
| Cell volume | 2978 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0687 |
| Residual factor for significantly intense reflections | 0.0507 |
| Weighted residual factors for all reflections included in the refinement | 0.1416 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.984 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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