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Information card for entry 7118467
Preview
| Coordinates | 7118467.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H21 Co N7 O5 S2 |
|---|---|
| Calculated formula | C25 H21 Co N7 O5 S2 |
| SMILES | O.O.O.c12cccc3C(C)=[N]4NC(c5ccccc5)=[O][Co]54([n]23)([N](=C1C)NC(=[O]5)c1ccccc1)(N=C=S)N=C=S |
| Title of publication | Modulation of the coordination environment: a convenient approach to tailor magnetic anisotropy in seven coordinate Co(II) complexes |
| Authors of publication | Dey, Mamon; Dutta, Snigdha; Sarma, Bipul; Deka, Ramesh Ch.; Gogoi, Nayanmoni |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2016 |
| Journal volume | 52 |
| Journal issue | 4 |
| Pages of publication | 753 - 756 |
| a | 10.692 ± 0.002 Å |
| b | 11.464 ± 0.002 Å |
| c | 24.031 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2945.6 ± 1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0443 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for significantly intense reflections | 0.0938 |
| Weighted residual factors for all reflections included in the refinement | 0.107 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7118228 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 209787 (current) | 2018-08-16 | cif/7/11/ Updating bibliography in entries 7118228-7118229, 7118467-7118468. Marking entries 7118467-7118468 as duplicates of entries 7118228-7118229. |
7118467.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7118467.cif |
| 174536 | 2016-01-18 | cif/ Adding structures of 7118467, 7118468 via cif-deposit CGI script. |
7118467.cif |
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Users of the data should acknowledge the original authors of the
structural data.