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Information card for entry 2243221
Preview
| Coordinates | 2243221.cif |
|---|---|
| Structure factors | 2243221.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(2-{[(2,6-dichlorobenzylidene)hydrazinylidene]methyl}phenolato)cobalt(II) |
|---|---|
| Formula | C28 H18 Cl4 Co N4 O2 |
| Calculated formula | C28 H18 Cl4 Co N4 O2 |
| SMILES | [Co]12(Oc3c(cccc3)C=[N]1/N=C/c1c(Cl)cccc1Cl)Oc1c(cccc1)C=[N]2/N=C/c1c(Cl)cccc1Cl |
| Title of publication | Crystal structure, Hirshfeld surface analysis and computational study of bis(2-{[(2,6-dichlorobenzylidene)hydrazinylidene]methyl}phenolato)cobalt(II) and of the copper(II) analogue |
| Authors of publication | Manawar, Rohit B.; Mamtora, Mayank J.; Shah, Manish K.; Jotani, Mukesh M.; Tiekink, Edward R. T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 1 |
| Pages of publication | 53 - 61 |
| a | 8.8137 ± 0.001 Å |
| b | 10.4801 ± 0.0012 Å |
| c | 15.0785 ± 0.0017 Å |
| α | 85.684 ± 0.007° |
| β | 77.984 ± 0.007° |
| γ | 84.965 ± 0.007° |
| Cell volume | 1354.7 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.079 |
| Residual factor for significantly intense reflections | 0.0452 |
| Weighted residual factors for significantly intense reflections | 0.0976 |
| Weighted residual factors for all reflections included in the refinement | 0.1115 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 245311 (current) | 2019-12-18 | cif/ hkl/ Adding structures of 2243221, 2243222 via cif-deposit CGI script. |
2243221.cif 2243221.hkl |
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Users of the data should acknowledge the original authors of the
structural data.