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Information card for entry 2108427
Preview
| Coordinates | 2108427.cif |
|---|---|
| Structure factors | 2108427.hkl |
| Original paper (by DOI) | HTML |
| Formula | C20 H16 Co N6 S2 |
|---|---|
| Calculated formula | C20 H16 Co N6 S2 |
| SMILES | [Co](N=C=S)([n]1c[nH]c(c1)c1ccccc1)(N=C=S)[n]1c[nH]c(c1)c1ccccc1 |
| Title of publication | Influence of ligand positional isomerism on the molecular and supramolecular structures of cobalt(II)-phenylimidazole complexes |
| Authors of publication | Duros, Vasilios; Papatriantafyllopoulou, Constantina; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 4 |
| a | 24.4747 ± 0.0019 Å |
| b | 5.5932 ± 0.0005 Å |
| c | 14.8644 ± 0.0016 Å |
| α | 90° |
| β | 94.172 ± 0.008° |
| γ | 90° |
| Cell volume | 2029.4 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.044 |
| Residual factor for significantly intense reflections | 0.0327 |
| Weighted residual factors for significantly intense reflections | 0.0693 |
| Weighted residual factors for all reflections included in the refinement | 0.0766 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215998 (current) | 2019-06-15 | cif/ hkl/ Adding structures of 2108420, 2108421, 2108422, 2108423, 2108424, 2108425, 2108426, 2108427 via cif-deposit CGI script. |
2108427.cif 2108427.hkl |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.