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Information card for entry 2312018
Preview
| Coordinates | 2312018.cif |
|---|---|
| Structure factors | 2312018.hkl |
| Original IUCr paper | HTML |
| Chemical name | {μ~2~-<i>N</i>,<i>N</i>'-bis[(pyridin-3-yl)methyl]ethanediamide}tetrakis(dimethylcarbamodithioato)dizinc(II) dimethylformamide disolvate |
|---|---|
| Formula | C32 H52 N10 O4 S8 Zn2 |
| Calculated formula | C32 H52 N10 O4 S8 Zn2 |
| SMILES | C1(=[S][Zn]2(S1)([S]=C(N(C)C)S2)[n]1cccc(CNC(=O)C(=O)NCc2c[n](ccc2)[Zn]23(SC(=[S]2)N(C)C)SC(=[S]3)N(C)C)c1)N(C)C.CN(C)C=O.N(C=O)(C)C |
| 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 | 9.0998 ± 0.0008 Å |
| b | 9.3544 ± 0.001 Å |
| c | 15.508 ± 0.002 Å |
| α | 84.176 ± 0.001° |
| β | 75.54 ± 0.008° |
| γ | 61.067 ± 0.006° |
| Cell volume | 1118.4 ± 0.2 Å3 |
| Cell temperature | 98 ± 2 K |
| Ambient diffraction temperature | 98 ± 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 | 0.0323 |
| Residual factor for significantly intense reflections | 0.031 |
| Weighted residual factors for significantly intense reflections | 0.0824 |
| Weighted residual factors for all reflections included in the refinement | 0.0839 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| 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. |
2312018.cif 2312018.hkl |
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