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Information card for entry 1557431
Preview
| Coordinates | 1557431.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Ni(CTH)(NCS)2] |
|---|---|
| Formula | C18 H36 N6 Ni S2 |
| Calculated formula | C18 N6 Ni S2 |
| Title of publication | Crystal Structure of [Ni(CTH)(NCS)2] with Linearly and Nonlinearly Coordinated Isothiocyanate Groups |
| Authors of publication | Colacio, Enrique; Dominquez-Vera, Jose M.; Escuer, Albert; Kivekas, Raikko; Klinga, Martti; Romerosa, Antonio |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1996 |
| Journal volume | 50 |
| Pages of publication | 178 - 180 |
| a | 8.049 ± 0.002 Å |
| b | 9.134 ± 0.002 Å |
| c | 15.488 ± 0.003 Å |
| α | 94.22 ± 0.03° |
| β | 97.53 ± 0.03° |
| γ | 92.97 ± 0.03° |
| Cell volume | 1123.6 ± 0.4 Å3 |
| Ambient diffraction temperature | 193 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0759 |
| Weighted residual factors for significantly intense reflections | 0.1749 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 248645 (current) | 2020-03-03 | cif/ Adding structures of 1557431 via cif-deposit CGI script. |
1557431.cif |
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Users of the data should acknowledge the original authors of the
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