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Information card for entry 2243994
Preview
| Coordinates | 2243994.cif |
|---|---|
| Structure factors | 2243994.hkl |
| Original IUCr paper | HTML |
| Chemical name | (2-{[(2-Hydroxyethyl-κ<i>O</i>)amino-κ<i>N</i>]methyl}-6-methoxyphenolato-κ<i>O</i>)(2-{[(2-hydroxyethyl)imino-κ<i>N</i>]methyl}-6-methoxyphenolato-κ<i>O</i>)copper(II) |
|---|---|
| Formula | C20 H26 Cu N2 O6 |
| Calculated formula | C20 H26 Cu N2 O6 |
| SMILES | [Cu]123([N](=Cc4cccc(OC)c4O1)CCO)Oc1c(OC)cccc1C[NH]3CC[OH]2 |
| Title of publication | A bis-chelate <i>o</i>-vanillin-2-ethanolamine copper(II) complex bearing both imine and amine forms of the ligand |
| Authors of publication | Plyuta, Nataliya; Kokozay, Vladimir N.; Rusanova, Julia A.; Buvailo, Halyna; Goreshnik, Evgeny; Petrusenko, Svitlana |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 12 |
| Pages of publication | 1272 - 1275 |
| a | 8.3068 ± 0.0009 Å |
| b | 24.328 ± 0.0019 Å |
| c | 10.137 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2048.6 ± 0.3 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0363 |
| Residual factor for significantly intense reflections | 0.0322 |
| Weighted residual factors for significantly intense reflections | 0.0757 |
| Weighted residual factors for all reflections included in the refinement | 0.0787 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271913 (current) | 2022-01-07 | cif/ hkl/ Adding structures of 2243994 via cif-deposit CGI script. |
2243994.cif 2243994.hkl |
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