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Information card for entry 2241450
Preview
| Coordinates | 2241450.cif |
|---|---|
| Structure factors | 2241450.hkl |
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | μ-Oxalodihydroxamato-bis[(2,2'-bipyridyl)(dimethyl sulfoxide-κ<i>O</i>)copper(II)] bis(perchlorate) |
|---|---|
| Formula | C26 H30 Cl2 Cu2 N6 O14 S2 |
| Calculated formula | C26 H30 Cl2 Cu2 N6 O14 S2 |
| SMILES | c1[n]2[Cu]3([O]=S(C)C)([n]4c(c2ccc1)cccc4)[N](O)=C1C(=[N](O)[Cu]2([n]4ccccc4c4cccc[n]24)(O1)[O]=S(C)C)O3.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O |
| Title of publication | Crystal structure of μ-oxalodihydroxamato-bis[(2,2'-bipyridyl)(dimethyl sulfoxide-κ<i>O</i>)copper(II)] bis(perchlorate) |
| Authors of publication | Odarich, Irina A.; Pavlishchuk, Anna V.; Kalibabchuk, Valentina A.; Haukka, Matti |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 2 |
| Pages of publication | 147 - 150 |
| a | 7.3641 ± 0.0002 Å |
| b | 10.3759 ± 0.0005 Å |
| c | 12.1358 ± 0.0005 Å |
| α | 68.853 ± 0.002° |
| β | 84.803 ± 0.003° |
| γ | 87.825 ± 0.003° |
| Cell volume | 861.27 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0449 |
| Residual factor for significantly intense reflections | 0.0342 |
| Weighted residual factors for significantly intense reflections | 0.0814 |
| Weighted residual factors for all reflections included in the refinement | 0.0868 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.111 |
| Diffraction radiation wavelength | 0.71069 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. |
2241450.cif 2241450.hkl |
| 181915 | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/14. |
2241450.cif 2241450.hkl |
| 174434 | 2016-01-14 | cif/ hkl/ Adding structures of 2241450 via cif-deposit CGI script. |
2241450.cif 2241450.hkl |
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Users of the data should acknowledge the original authors of the
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