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Information card for entry 8104758
Preview
| Coordinates | 8104758.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H18 N6 S4 Zn |
|---|---|
| Calculated formula | C26 H18 N6 S4 Zn |
| Title of publication | Crystal structure of 1,1′-(1,4-phenylenebis(methylene))bis(pyridin-1-ium) bis(1,2-dicyanoethene-1,2-dithiolato-k2 S:S)zinc(II), C26H18N6ZnS4 |
| Authors of publication | Yan, Wei-Hong; Liu, Xue-Guo; Shen, Ming-Le; Pan, Hui-Yan |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 3 |
| Pages of publication | 533 - 535 |
| a | 9.4677 ± 0.0013 Å |
| b | 12.0147 ± 0.0017 Å |
| c | 13.571 ± 0.003 Å |
| α | 102.907 ± 0.003° |
| β | 102.302 ± 0.003° |
| γ | 110.419 ± 0.002° |
| Cell volume | 1336.7 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 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 | 0.052 |
| Residual factor for significantly intense reflections | 0.0441 |
| Weighted residual factors for significantly intense reflections | 0.1155 |
| Weighted residual factors for all reflections included in the refinement | 0.1202 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.967 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273695 (current) | 2022-03-15 | cif/ Adding structures of 8104758 via cif-deposit CGI script. |
8104758.cif |
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Users of the data should acknowledge the original authors of the
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