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Information card for entry 1544271
Preview
| Coordinates | 1544271.cif |
|---|---|
| Structure factors | 1544271.hkl |
| Original paper (by DOI) | HTML |
| Formula | C40 H30 Co N2 O4 |
|---|---|
| Calculated formula | C40 H30 Co N2 O4 |
| SMILES | [Co]123(Oc4c(cccc4)C(=[O]1)c1ccccc1)(Oc1c(cccc1)C(=[O]2)c1ccccc1)[n]1c2c(ccc1C)ccc1ccc(C)[n]3c21 |
| Title of publication | Different Geometries of Novel Cobalt(II) Compounds with 2-Hydroxy-benzophenones and Neocuproine: Crystal and Molecular Structures of [Co(2-hydroxy-benzophenone)~2~(neoc)], [Co(2-hydroxy-4-methoxybenzophenone)(neoc)Br] and [Co(neoc)Br~2~].CH~3~OH.H~2~O |
| Authors of publication | Maria Lalia-Kantouri; Christos D. Papadopoulos; Antonios G. Hatzidimitriou; Michael P. Sigalas; Miguel Quirós; Stavroula Skoulika |
| Journal of publication | Polyhedron |
| Year of publication | 2013 |
| Journal volume | 52 |
| Pages of publication | 1306 - 1316 |
| a | 11.3689 ± 0.0017 Å |
| b | 16.701 ± 0.002 Å |
| c | 17.007 ± 0.003 Å |
| α | 90° |
| β | 92.09 ± 0.003° |
| γ | 90° |
| Cell volume | 3227 ± 0.8 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0733 |
| Residual factor for significantly intense reflections | 0.055 |
| Weighted residual factors for significantly intense reflections | 0.1283 |
| Weighted residual factors for all reflections included in the refinement | 0.138 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 187264 (current) | 2016-10-11 | cif/ hkl/ Adding structures of 1544271 via cif-deposit CGI script. |
1544271.cif 1544271.hkl |
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Users of the data should acknowledge the original authors of the
structural data.