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Information card for entry 2241715
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| Coordinates | 2241715.cif |
|---|---|
| Structure factors | 2241715.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(isonicotinamide-κ<i>N</i>^1^)bis(thiocyanato-κ<i>N</i>)zinc |
|---|---|
| Formula | C14 H12 N6 O2 S2 Zn |
| Calculated formula | C14 H12 N6 O2 S2 Zn |
| SMILES | c1cc(cc[n]1[Zn](N=C=S)(N=C=S)[n]1ccc(cc1)C(=O)N)C(=O)N |
| Title of publication | Crystal structure of bis(isonicotinamide-κ<i>N</i>^1^)bis(thiocyanato-κ<i>N</i>)zinc |
| Authors of publication | Neumann, Tristan; Jess, Inke; Näther, Christian |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 7 |
| Pages of publication | 922 - 925 |
| a | 19.1926 ± 0.0009 Å |
| b | 36.3044 ± 0.0012 Å |
| c | 5.293 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3688 ± 0.3 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F d d 2 |
| Hall space group symbol | F 2 -2d |
| Residual factor for all reflections | 0.0349 |
| Residual factor for significantly intense reflections | 0.0311 |
| Weighted residual factors for significantly intense reflections | 0.0658 |
| Weighted residual factors for all reflections included in the refinement | 0.0672 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.125 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183352 (current) | 2016-06-11 | cif/ hkl/ Adding structures of 2241715 via cif-deposit CGI script. |
2241715.cif 2241715.hkl |
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Users of the data should acknowledge the original authors of the
structural data.