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Information card for entry 8104895
Preview
| Coordinates | 8104895.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H18 N6 Ni S4 |
|---|---|
| Calculated formula | C26 H18 N6 Ni S4 |
| Title of publication | Crystal structure of 1,4-bis(methylpyridinium benzene) bis(1,2-dicyanoethene-1,2-dithiolato-κ2 S:S)nickel(II), C26H18N6NiS4 |
| Authors of publication | Yan, Wei-Hong; Pan, Hui-Yan |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 1 |
| Pages of publication | 107 - 108 |
| a | 8.2947 ± 0.0004 Å |
| b | 8.9964 ± 0.0005 Å |
| c | 9.421 ± 0.0005 Å |
| α | 70.988 ± 0.001° |
| β | 79.971 ± 0.001° |
| γ | 82.567 ± 0.001° |
| Cell volume | 652.52 ± 0.06 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 all reflections | 0.0444 |
| Residual factor for significantly intense reflections | 0.034 |
| Weighted residual factors for significantly intense reflections | 0.0621 |
| Weighted residual factors for all reflections included in the refinement | 0.0643 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274032 (current) | 2022-03-28 | cif/ Adding structures of 8104895 via cif-deposit CGI script. |
8104895.cif |
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Users of the data should acknowledge the original authors of the
structural data.