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Information card for entry 1530693
Preview
| Coordinates | 1530693.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | [Co(IAd)2][BArF4] |
|---|---|
| Formula | C78 H76 B Co F24 N4 |
| Calculated formula | C78 H76 B Co F24 N4 |
| SMILES | [Co](=C1N(C=CN1C12CC3CC(C1)CC(C3)C2)C12CC3CC(C1)CC(C2)C3)=C1N(C=CN1C12CC3CC(C1)CC(C3)C2)C12CC3CC(C1)CC(C3)C2.FC(F)(F)c1cc(cc(c1)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F |
| Title of publication | Observation of the single-ion magnet behavior of d8ions on two-coordinate Co(i)‒NHC complexes |
| Authors of publication | Meng, Yin-Shan; Mo, Zhenbo; Wang, Bing-Wu; Zhang, Yi-Quan; Deng, Liang; Gao, Song |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 12 |
| Pages of publication | 7156 |
| a | 14.0529 ± 0.001 Å |
| b | 14.0529 ± 0.001 Å |
| c | 18.2643 ± 0.0018 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3606.9 ± 0.5 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 86 |
| Hermann-Mauguin space group symbol | P 42/n :2 |
| Hall space group symbol | -P 4bc |
| Residual factor for all reflections | 0.0948 |
| Residual factor for significantly intense reflections | 0.0656 |
| Weighted residual factors for significantly intense reflections | 0.1841 |
| Weighted residual factors for all reflections included in the refinement | 0.2084 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 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. |
1530693.cif |
| 170955 | 2015-12-09 | cif/ Updating files of 1530691, 1530692, 1530693 Original log message: Adding full bibliography for 1530691--1530693.cif. |
1530693.cif |
| 155857 | 2015-09-11 | cif/ Adding structures of 1530691, 1530692, 1530693 via cif-deposit CGI script. |
1530693.cif |
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