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Information card for entry 2311589
Preview
| Coordinates | 2311589.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | <i>trans</i>-Bis[2-(1<i>H</i>-benzotriazol-1-yl)acetato-κ<i>O</i>]bis(ethanolamine-κ^2^<i>N</i>,<i>O</i>)copper(II) |
|---|---|
| Formula | C20 H26 Cu N8 O6 |
| Calculated formula | C20 H26 Cu N8 O6 |
| SMILES | c1c2c(ccc1)nnn2CC(=O)O[Cu](OC(=O)Cn1nnc2c1cccc2)([NH2]CCO)[NH2]CCO |
| Title of publication | Crystal structure of <i>trans</i>-bis-[2-(1<i>H</i>-benzotriazol-1-yl)acetato-κ<i>O</i>]bis-(ethano-lamine-κ<sup>2</sup><i>N</i>,<i>O</i>)copper(II). |
| Authors of publication | Alieva, Guloy K.; Ashurov, Jamshid M.; Kadirova, Shahnoza A.; Ibragimov, Bakhtiyar T.; Zakhidov, Kasim A. |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | Pt 2 |
| Pages of publication | 233 - 236 |
| a | 12.4283 ± 0.0004 Å |
| b | 4.84866 ± 0.00009 Å |
| c | 20.6944 ± 0.0005 Å |
| α | 90° |
| β | 105.823 ± 0.003° |
| γ | 90° |
| Cell volume | 1199.8 ± 0.06 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0382 |
| Residual factor for significantly intense reflections | 0.0329 |
| Weighted residual factors for significantly intense reflections | 0.0904 |
| Weighted residual factors for all reflections included in the refinement | 0.0957 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301809 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/31/ Each referenced PubChem compound corresponds to the full crystal structure. |
2311589.cif |
| 246004 | 2019-12-25 | cif/ Adding structures of 2311589 via cif-deposit CGI script. |
2311589.cif |
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Users of the data should acknowledge the original authors of the
structural data.