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Information card for entry 8105533
Preview
| Coordinates | 8105533.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H8 Co0.5 N7 S |
|---|---|
| Calculated formula | C11 H8 Co0.5 N7 S |
| Title of publication | Crystal structure of catena-poly[bis(μ2-1,3-di(4H-1,2,4-triazol-4-yl)benzene-κ2 N:N′)-bis(thiocyanato-κ1 N)cobalt(II), C22H16CoN14S2 |
| Authors of publication | Lan, Hong-Hong |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 234 |
| Journal issue | 1 |
| Pages of publication | 37 - 38 |
| a | 7.2634 ± 0.0004 Å |
| b | 9.5067 ± 0.0004 Å |
| c | 9.7384 ± 0.0004 Å |
| α | 89.971 ± 0.003° |
| β | 76.844 ± 0.004° |
| γ | 67.575 ± 0.004° |
| Cell volume | 602.49 ± 0.05 Å3 |
| Cell temperature | 289.04 ± 0.1 K |
| Ambient diffraction temperature | 289.04 ± 0.1 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 | 0.0323 |
| Residual factor for significantly intense reflections | 0.0295 |
| Weighted residual factors for significantly intense reflections | 0.0671 |
| Weighted residual factors for all reflections included in the refinement | 0.0685 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| 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 |
|---|---|---|---|
| 276285 (current) | 2022-06-27 | cif/ Adding structures of 8105533 via cif-deposit CGI script. |
8105533.cif |
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Users of the data should acknowledge the original authors of the
structural data.