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Information card for entry 2020518
Preview
| Coordinates | 2020518.cif |
|---|---|
| Structure factors | 2020518.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dichlorido(dimethylformamide-κ<i>O</i>){5,6-dimethyl-2-(pyridin-2-yl-κ<i>N</i>)-1-[(pyridin-2-yl)methyl]-1<i>H</i>-benzimidazole-κ<i>N</i>^3^}zinc(II) dimethylformamide monosolvate |
|---|---|
| Formula | C26 H32 Cl2 N6 O2 Zn |
| Calculated formula | C26 H32 Cl2 N6 O2 Zn |
| SMILES | [Zn]1(Cl)(Cl)([O]=CN(C)C)[n]2c3cc(c(cc3n(c2c2[n]1cccc2)Cc1ncccc1)C)C.O=CN(C)C |
| Title of publication | Structural and spectroscopic characterization of two new blue luminescent pyridylbenzimidazole zinc(II) complexes |
| Authors of publication | DeStefano, Matthew R.; Geiger, David K. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 6 |
| a | 11.2504 ± 0.0011 Å |
| b | 11.7298 ± 0.0011 Å |
| c | 12.6588 ± 0.0013 Å |
| α | 71.518 ± 0.004° |
| β | 71.087 ± 0.003° |
| γ | 65.76 ± 0.003° |
| Cell volume | 1407.9 ± 0.2 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.0522 |
| Residual factor for significantly intense reflections | 0.0398 |
| Weighted residual factors for significantly intense reflections | 0.0992 |
| Weighted residual factors for all reflections included in the refinement | 0.1066 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKa |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 182996 (current) | 2016-05-18 | cif/ hkl/ Adding structures of 2020518, 2020519 via cif-deposit CGI script. |
2020518.cif 2020518.hkl |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.