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Information card for entry 7118468
Preview
| Coordinates | 7118468.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H21 Co N5 O4 |
|---|---|
| Calculated formula | C23 H21 Co N5 O4 |
| SMILES | C1(=[N]2N=C(c3ccccc3)O[Co]342([n]2c1cccc2C(=[N]3N=C(c1ccccc1)O4)C)([OH2])[OH2])C |
| 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 | 26.039 ± 0.0011 Å |
| b | 11.4044 ± 0.0005 Å |
| c | 7.3288 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2176.35 ± 0.18 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 36 |
| Hermann-Mauguin space group symbol | C m c 21 |
| Hall space group symbol | C 2c -2 |
| Residual factor for all reflections | 0.0432 |
| Residual factor for significantly intense reflections | 0.034 |
| Weighted residual factors for significantly intense reflections | 0.09 |
| Weighted residual factors for all reflections included in the refinement | 0.1232 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.209 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7118229 |
| 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. |
7118468.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. |
7118468.cif |
| 174536 | 2016-01-18 | cif/ Adding structures of 7118467, 7118468 via cif-deposit CGI script. |
7118468.cif |
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Users of the data should acknowledge the original authors of the
structural data.