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Information card for entry 2020762
Preview
| Coordinates | 2020762.cif |
|---|---|
| Structure factors | 2020762.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Aquabis[<i>N</i>-(6-methylpyridin-2-yl-κ<i>N</i>)acetamide-κ<i>O</i>]copper(II) dinitrate |
|---|---|
| Formula | C16 H22 Cu N6 O9 |
| Calculated formula | C16 H22 Cu N6 O9 |
| SMILES | [Cu]12([OH2])([O]=C(Nc3[n]1c(ccc3)C)C)[O]=C(Nc1[n]2c(ccc1)C)C.O=N(=O)[O-].O=N(=O)[O-] |
| 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 | 13.3089 ± 0.0002 Å |
| b | 8.4494 ± 0.0001 Å |
| c | 18.535 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2084.3 ± 0.05 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0416 |
| Residual factor for significantly intense reflections | 0.0356 |
| Weighted residual factors for significantly intense reflections | 0.109 |
| Weighted residual factors for all reflections included in the refinement | 0.1128 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301801 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/02 Each referenced PubChem compound corresponds to the full crystal structure. |
2020762.cif 2020762.hkl |
| 199064 | 2017-07-25 | cif/ hkl/ Adding structures of 2020761, 2020762, 2020763 via cif-deposit CGI script. |
2020762.cif 2020762.hkl |
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Users of the data should acknowledge the original authors of the
structural data.