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Information card for entry 2242178
Preview
| Coordinates | 2242178.cif |
|---|---|
| Structure factors | 2242178.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | {1,1'-Bis[(pyridin-2-yl)methyl]-2,2'-bipiperidyl}(perchlorato)copper(II) perchlorate |
|---|---|
| Formula | C22 H30 Cl2 Cu N4 O8 |
| Calculated formula | C22 H30 Cl2 Cu N4 O8 |
| SMILES | [Cu]123(OCl(=O)(=O)=O)[n]4ccccc4C[N]41CCCC[C@H]4[C@@H]1[N]2(CCCC1)Cc1[n]3cccc1.Cl(=O)(=O)(=O)[O-] |
| Title of publication | {1,1'-Bis[(pyridin-2-yl)methyl]-2,2'-bipiperidyl}(perchlorato)copper(II) perchlorate |
| Authors of publication | Yang, Guang; Rybak-Akimova, Elena V.; Campana, Charles |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 7 |
| Pages of publication | 1082 - 1086 |
| a | 18.4079 ± 0.0007 Å |
| b | 14.0001 ± 0.0005 Å |
| c | 19.9387 ± 0.0007 Å |
| α | 90° |
| β | 106.531 ± 0.001° |
| γ | 90° |
| Cell volume | 4926.1 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100.01 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0614 |
| Residual factor for significantly intense reflections | 0.0378 |
| Weighted residual factors for significantly intense reflections | 0.0825 |
| Weighted residual factors for all reflections included in the refinement | 0.0909 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2242178.cif 2242178.hkl |
| 199148 | 2017-07-25 | cif/ hkl/ Adding structures of 2242178 via cif-deposit CGI script. |
2242178.cif 2242178.hkl |
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Users of the data should acknowledge the original authors of the
structural data.