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Information card for entry 2241581
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| Coordinates | 2241581.cif |
|---|---|
| Structure factors | 2241581.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dichloridobis(dimethyl <i>N</i>-cyanodithioiminocarbonate)zinc |
|---|---|
| Formula | C8 H12 Cl2 N4 S4 Zn |
| Calculated formula | C8 H12 Cl2 N4 S4 Zn |
| SMILES | [Zn](Cl)(Cl)([N]#CN=C(SC)SC)[N]#CN=C(SC)SC |
| Title of publication | Crystal structure of dichloridobis(dimethyl <i>N</i>-cyanodithioiminocarbonate)zinc |
| Authors of publication | Diop, Mouhamadou Birame; Diop, Libasse; Oliver, Allen G. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 3 |
| Pages of publication | 417 - 419 |
| a | 8.8574 ± 0.0005 Å |
| b | 8.8833 ± 0.0006 Å |
| c | 11.2391 ± 0.0007 Å |
| α | 73.0839 ± 0.0016° |
| β | 87.4301 ± 0.0016° |
| γ | 79.9801 ± 0.0016° |
| Cell volume | 833.14 ± 0.09 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.0271 |
| Residual factor for significantly intense reflections | 0.0249 |
| Weighted residual factors for significantly intense reflections | 0.0611 |
| Weighted residual factors for all reflections included in the refinement | 0.0624 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.157 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181916 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/15. |
2241581.cif 2241581.hkl |
| 176876 | 2016-02-25 | cif/ hkl/ Adding structures of 2241581 via cif-deposit CGI script. |
2241581.cif 2241581.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.