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Information card for entry 2022490
Preview
| Coordinates | 2022490.cif |
|---|---|
| Structure factors | 2022490.hkl |
| Original IUCr paper | HTML |
| Common name | Bis(3-formylpyridine 4-ethylthiosemicarbazonato-κ^2^<i>N</i>^1^,<i>S</i>)nickel(II) |
|---|---|
| Chemical name | Bis[(<i>Z</i>)-<i>N</i>-ethyl-2-(pyridin-3-ylmethylidene)hydrazine-1-carbothioamidato-κ^2^<i>N</i>^1^,<i>S</i>]nickel(II) |
| Formula | C18 H22 N8 Ni S2 |
| Calculated formula | C18 H22 N8 Ni S2 |
| SMILES | C1(NCC)=N[N](=Cc2cccnc2)[Ni]2(S1)[N](=Cc1cccnc1)N=C(NCC)S2 |
| Title of publication | Crystal structures of 3/4-pyridyl-based thiosemicarbazones and related Cu and Ni coordination compounds |
| Authors of publication | Lobana, Tarlok Singh; Kaushal, Mani; Bhatia, Robin; Bala, Ritu; Butcher, Ray J.; Jasinksi, Jerry P. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 1 |
| a | 7.6398 ± 0.0006 Å |
| b | 14.393 ± 0.0008 Å |
| c | 9.7339 ± 0.0007 Å |
| α | 90° |
| β | 107.823 ± 0.008° |
| γ | 90° |
| Cell volume | 1018.97 ± 0.13 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.056 |
| Residual factor for significantly intense reflections | 0.0395 |
| Weighted residual factors for significantly intense reflections | 0.0855 |
| Weighted residual factors for all reflections included in the refinement | 0.0952 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271558 (current) | 2021-12-21 | cif/ hkl/ Adding structures of 2022487, 2022488, 2022489, 2022490 via cif-deposit CGI script. |
2022490.cif 2022490.hkl |
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Users of the data should acknowledge the original authors of the
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