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Information card for entry 2108422
Preview
| Coordinates | 2108422.cif |
|---|---|
| Structure factors | 2108422.hkl |
| Original paper (by DOI) | HTML |
| Formula | C18 H16 Co N6 O6 |
|---|---|
| Calculated formula | C18 H16 Co N6 O6 |
| SMILES | [Co]1([n]2c([nH]cc2)c2ccccc2)([n]2c([nH]cc2)c2ccccc2)(ON(=[O]1)=O)ON(=O)=O |
| 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 | 9.4982 ± 0.0009 Å |
| b | 14.9627 ± 0.0011 Å |
| c | 14.5081 ± 0.0014 Å |
| α | 90° |
| β | 107.938 ± 0.01° |
| γ | 90° |
| Cell volume | 1961.6 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0676 |
| Residual factor for significantly intense reflections | 0.0483 |
| Weighted residual factors for significantly intense reflections | 0.0952 |
| Weighted residual factors for all reflections included in the refinement | 0.104 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| 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. |
2108422.cif 2108422.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.