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Information card for entry 2242035
Preview
| Coordinates | 2242035.cif |
|---|---|
| Structure factors | 2242035.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(μ~2~-<i>N</i>-methyl-<i>N</i>-phenyldithiocarbamato)-κ^3^<i>S</i>,<i>S</i>':<i>S</i>;κ^3^<i>S</i>:<i>S</i>,<i>S</i>'-bis[(<i>N</i>-methyl-<i>N</i>-phenyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')cadmium(II)] |
|---|---|
| Formula | C32 H32 Cd2 N4 S8 |
| Calculated formula | C32 H32 Cd2 N4 S8 |
| SMILES | C1(N(C)c2ccccc2)=[S][Cd]23([S]=C([S]2[Cd]24([S]=C(N(C)c5ccccc5)[S]32)[S]=C(N(C)c2ccccc2)S4)N(C)c2ccccc2)S1 |
| Title of publication | Bis(μ~2~-<i>N</i>-methyl-<i>N</i>-phenyldithiocarbamato)-κ^3^<i>S</i>,<i>S</i>':<i>S</i>;κ^3^<i>S</i>:<i>S</i>,<i>S</i>'-bis[(<i>N</i>-methyl-<i>N</i>-phenyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')cadmium]: crystal structure and Hirshfeld surface analysis |
| Authors of publication | Suwardi, Siti Aisyah Nabilah; Lee, See Mun; Lo, Kong Mun; Jotani, Mukesh M.; Tiekink, Edward R. T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 3 |
| Pages of publication | 429 - 433 |
| a | 12.7972 ± 0.0006 Å |
| b | 6.4445 ± 0.0003 Å |
| c | 22.582 ± 0.001 Å |
| α | 90° |
| β | 98.247 ± 0.004° |
| γ | 90° |
| Cell volume | 1843.11 ± 0.15 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0582 |
| Residual factor for significantly intense reflections | 0.0371 |
| Weighted residual factors for significantly intense reflections | 0.0728 |
| Weighted residual factors for all reflections included in the refinement | 0.0859 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 192750 (current) | 2017-03-02 | cif/ hkl/ Adding structures of 2242035 via cif-deposit CGI script. |
2242035.cif 2242035.hkl |
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