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Information card for entry 2312019
Preview
| Coordinates | 2312019.cif |
|---|---|
| Structure factors | 2312019.hkl |
| Original IUCr paper | HTML |
| Chemical name | {μ~2~-<i>N</i>,<i>N</i>'-Bis[(pyridin-3-yl)methyl]ethanediamide}tetrakis(di-<i>n</i>-propylcarbamodithioato)dizinc(II) |
|---|---|
| Formula | C42 H70 N8 O2 S8 Zn2 |
| Calculated formula | C42 H70 N8 O2 S8 Zn2 |
| SMILES | C1(=[S][Zn]2([n]3cc(ccc3)CNC(=O)C(=O)NCc3ccc[n](c3)[Zn]34([S]=C(N(CCC)CCC)S3)SC(=[S]4)N(CCC)CCC)(S1)[S]=C(N(CCC)CCC)S2)N(CCC)CCC |
| Title of publication | Crystal structures of {μ<sub>2</sub>-<i>N</i>,<i>N</i>'-bis-[(pyridin-3-yl)meth-yl]ethanedi-amide}tetra-kis-(di-methyl-carbamodi-thio-ato)dizinc(II) di-methyl-formamide disolvate and {μ<sub>2</sub>-<i>N</i>,<i>N</i>'-bis-[(pyridin-3-yl)meth-yl]ethanedi-amide}tetra-kis-(di-<i>n</i>-propyl-carbamodi-thio-ato)dizinc(II). |
| Authors of publication | Arman, Hadi D.; Poplaukhin, Pavel; Tiekink, Edward R. T. |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | Pt 10 |
| Pages of publication | 1501 - 1507 |
| a | 31.048 ± 0.004 Å |
| b | 16.923 ± 0.002 Å |
| c | 10.3453 ± 0.0014 Å |
| α | 90° |
| β | 100.361 ± 0.002° |
| γ | 90° |
| Cell volume | 5347 ± 1.2 Å3 |
| Cell temperature | 98 ± 2 K |
| Ambient diffraction temperature | 98 ± 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 | 0.0362 |
| Residual factor for significantly intense reflections | 0.0329 |
| Weighted residual factors for significantly intense reflections | 0.0755 |
| Weighted residual factors for all reflections included in the refinement | 0.0773 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 246248 (current) | 2019-12-27 | cif/ hkl/ Adding structures of 2312018, 2312019 via cif-deposit CGI script. |
2312019.cif 2312019.hkl |
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