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Information card for entry 1556604
Preview
| Coordinates | 1556604.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H48 N32 Ni4 S8 |
|---|---|
| Calculated formula | C40 H48 N32 Ni4 S8 |
| Title of publication | [2 x 2] Molecular Grids of Ni(II) and Zn(II) with Redox-Active 1,4-Pyrazine-Bis(thiosemicarbazone) Ligands |
| Authors of publication | Arefyeva, N.; Sandleben, A.; Krest, A.; Baumann, U.; Schafer, M.; Kempf, M.; Klein, A. |
| Journal of publication | Inorganics |
| Year of publication | 2018 |
| Journal volume | 6 |
| Pages of publication | 51 |
| a | 18.8863 ± 0.0009 Å |
| b | 18.8863 ± 0.0009 Å |
| c | 18.4813 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6592.1 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 97 |
| Hermann-Mauguin space group symbol | I 4 2 2 |
| Hall space group symbol | I 4 2 |
| Residual factor for all reflections | 0.2531 |
| Residual factor for significantly intense reflections | 0.1191 |
| Weighted residual factors for significantly intense reflections | 0.3035 |
| Weighted residual factors for all reflections included in the refinement | 0.3937 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.989 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 245242 (current) | 2019-12-17 | cif/ Adding structures of 1556604 via cif-deposit CGI script. |
1556604.cif |
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Users of the data should acknowledge the original authors of the
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