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Information card for entry 2020761
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| Coordinates | 2020761.cif |
|---|---|
| Structure factors | 2020761.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bromidobis[<i>N</i>-(6-methylpyridin-2-yl-κ<i>N</i>)acetamide-κ<i>O</i>]copper(II) bromide |
|---|---|
| Formula | C16 H20 Br2 Cu N4 O2 |
| Calculated formula | C16 H20 Br2 Cu N4 O2 |
| SMILES | Br[Cu]12([O]=C(Nc3[n]1c(ccc3)C)C)[O]=C(Nc1[n]2c(ccc1)C)C.[Br-] |
| Title of publication | Copper(II) bromide, nitrate and perchlorate complexes with sterically demanding <i>N</i>-(6-methylpyridin-2-yl)acetamide ligands |
| Authors of publication | Smolentsev, Anton I. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 8 |
| a | 9.0673 ± 0.0012 Å |
| b | 10.1144 ± 0.0014 Å |
| c | 11.7417 ± 0.0014 Å |
| α | 69.013 ± 0.005° |
| β | 77.791 ± 0.005° |
| γ | 81.901 ± 0.005° |
| Cell volume | 980.2 ± 0.2 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 | 0.0462 |
| Residual factor for significantly intense reflections | 0.034 |
| Weighted residual factors for significantly intense reflections | 0.0864 |
| Weighted residual factors for all reflections included in the refinement | 0.0908 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199064 (current) | 2017-07-25 | cif/ hkl/ Adding structures of 2020761, 2020762, 2020763 via cif-deposit CGI script. |
2020761.cif 2020761.hkl |
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Users of the data should acknowledge the original authors of the
structural data.