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Information card for entry 4350640
Preview
| Coordinates | 4350640.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C38 H34 Co N4 O2 |
|---|---|
| Calculated formula | C38 H34 Co N4 O2 |
| SMILES | [Co]12(Oc3c(C=[N]2c2ccc(cc2)C)cccc3)(Oc2c(cccc2)C=[N]1c1ccc(cc1)C)([n]1ccccc1)[n]1ccccc1 |
| Title of publication | Magnetic properties of 1:2 mixed cobalt(II) salicylaldehyde Schiff-base complexes with pyridine ligands carrying high-spin carbenes (Scar = 2/2, 4/2, 6/2, and 8/2) in dilute frozen solutions: role of organic spin in heterospin single-molecule magnets. |
| Authors of publication | Karasawa, Satoru; Nakano, Kimihiro; Yoshihara, Daisuke; Yamamoto, Noriko; Tanokashira, Jun-ichi; Yoshizaki, Takahito; Inagaki, Yuji; Koga, Noboru |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 11 |
| Pages of publication | 5447 - 5457 |
| a | 12.253 ± 0.004 Å |
| b | 12.06 ± 0.004 Å |
| c | 23.477 ± 0.007 Å |
| α | 90° |
| β | 112.584 ± 0.004° |
| γ | 90° |
| Cell volume | 3203.2 ± 1.8 Å3 |
| Cell temperature | 90 K |
| Ambient diffraction temperature | 90 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 significantly intense reflections | 0.0484 |
| Weighted residual factors for all reflections included in the refinement | 0.1323 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.877 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301841 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/35/ Each referenced PubChem compound corresponds to the full crystal structure. |
4350640.cif |
| 239976 | 2019-11-25 | cif/ Adding structures of 4350640, 4350641, 4350642, 4350643 via cif-deposit CGI script. |
4350640.cif |
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Users of the data should acknowledge the original authors of the
structural data.