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Information card for entry 2241626
Preview
| Coordinates | 2241626.cif |
|---|---|
| Structure factors | 2241626.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Hexa-μ~2~-acetato-bis(2-{[(2,2,6,6-tetramethylpiperidin-4-yl)imino]methyl}phenolato-κ^3^<i>O</i>,<i>N</i>,<i>N</i>')tetracopper(II) |
|---|---|
| Formula | C44 H64 Cu4 N4 O14 |
| Calculated formula | C44 H64 Cu4 N4 O14 |
| SMILES | O(C(=[O][Cu]1234[O]=C(O[Cu]4([O]=C(O[Cu]45[N](=Cc6c(O5)cccc6)C5CC([NH]4C(C5)(C)C)(C)C)C)([O]=C(O1)C)(OC(=[O]3)C)[O]=C(O2)C)C)C)[Cu]12Oc3ccccc3C=[N]1C1CC([NH]2C(C)(C1)C)(C)C |
| Title of publication | Crystal structure of a tetranuclear Cu^II^ complex with an <i>O</i>,<i>N</i>,<i>N</i>'-donor Schiff base ligand: hexa-μ~2~-acetato-bis(2-{[(2,2,6,6-tetramethylpiperidin-4-yl)imino]methyl}phenolato-κ^3^<i>O</i>,<i>N</i>,<i>N</i>')tetracopper(II) |
| Authors of publication | Huang, Guohui; Liu, Xiaoxuan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 4 |
| Pages of publication | 597 - 599 |
| a | 31.2431 ± 0.0006 Å |
| b | 10.7872 ± 0.0002 Å |
| c | 15.2556 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5141.53 ± 0.17 Å3 |
| Cell temperature | 250 ± 2 K |
| Ambient diffraction temperature | 250.15 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 | 0.058 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for significantly intense reflections | 0.0941 |
| Weighted residual factors for all reflections included in the refinement | 0.109 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
2241626.cif 2241626.hkl |
| 181917 | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/16. |
2241626.cif 2241626.hkl |
| 180669 | 2016-04-01 | cif/ hkl/ Adding structures of 2241626 via cif-deposit CGI script. |
2241626.cif 2241626.hkl |
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Users of the data should acknowledge the original authors of the
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