Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2223982
Preview
| Coordinates | 2223982.cif |
|---|---|
| Structure factors | 2223982.hkl |
| Original IUCr paper | HTML |
| Chemical name | (μ-1,2-Di-4-pyridylethylene-κ^2^<i>N</i>:<i>N</i>')bis[bis(<i>N</i>,<i>N</i>- dimethyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')zinc(II)] |
|---|---|
| Formula | C24 H34 N6 S8 Zn2 |
| Calculated formula | C24 H34 N6 S8 Zn2 |
| SMILES | [Zn]12([S]=C(S1)N(C)C)([S]=C(S2)N(C)C)[n]1ccc(cc1)/C=C/c1cc[n]([Zn]23([S]=C(S2)N(C)C)[S]=C(S3)N(C)C)cc1 |
| Title of publication | (μ-1,2-Di-4-pyridylethylene-κ^2^<i>N</i>:<i>N</i>')bis[bis(<i>N</i>,<i>N</i>-dimethyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')zinc(II)] |
| Authors of publication | Poplaukhin, Pavel; Tiekink, Edward R. T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2009 |
| Journal volume | 65 |
| Journal issue | 11 |
| Pages of publication | m1474 |
| a | 13.061 ± 0.004 Å |
| b | 15.904 ± 0.004 Å |
| c | 17.658 ± 0.005 Å |
| α | 90° |
| β | 108.443 ± 0.004° |
| γ | 90° |
| Cell volume | 3479.6 ± 1.7 Å3 |
| Cell temperature | 98 ± 2 K |
| Ambient diffraction temperature | 98 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.068 |
| Residual factor for significantly intense reflections | 0.062 |
| Weighted residual factors for significantly intense reflections | 0.152 |
| Weighted residual factors for all reflections included in the refinement | 0.155 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.22 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2223982.html
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.