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Information card for entry 2243222
Preview
| Coordinates | 2243222.cif |
|---|---|
| Structure factors | 2243222.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(2-{[(2,6-dichlorobenzylidene)hydrazinylidene]methyl}phenolato)copper(II) |
|---|---|
| Formula | C28 H18 Cl4 Cu N4 O2 |
| Calculated formula | C28 H18 Cl4 Cu N4 O2 |
| SMILES | c12c(C=[N]([Cu]3(O2)[N](=Cc2c(cccc2)O3)/N=C/c2c(Cl)cccc2Cl)/N=C/c2c(Cl)cccc2Cl)cccc1 |
| 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 | 8.13 ± 0.0007 Å |
| b | 8.5072 ± 0.0011 Å |
| c | 9.7386 ± 0.0013 Å |
| α | 83.24 ± 0.004° |
| β | 87.646 ± 0.003° |
| γ | 81.533 ± 0.004° |
| Cell volume | 661.39 ± 0.14 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 | 0.0394 |
| Residual factor for significantly intense reflections | 0.0326 |
| Weighted residual factors for significantly intense reflections | 0.0877 |
| Weighted residual factors for all reflections included in the refinement | 0.0933 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| 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. |
2243222.cif 2243222.hkl |
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Users of the data should acknowledge the original authors of the
structural data.