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Information card for entry 2021591
Preview
| Coordinates | 2021591.cif |
|---|---|
| Structure factors | 2021591.hkl |
| Original IUCr paper | HTML |
| Chemical name | [(<i>E</i>)-2-({[2-(Diethylamino)ethyl]imino}methyl)phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>](2-phenylacetato-κ^2^<i>O</i>,<i>O</i>')copper(II) |
|---|---|
| Formula | C21 H26 Cu N2 O3 |
| Calculated formula | C21 H26 Cu N2 O3 |
| SMILES | [Cu]123(Oc4ccccc4C=[N]2CC[N]3(CC)CC)OC(=[O]1)Cc1ccccc1 |
| Title of publication | The crystal and molecular structures of three copper-containing complexes and their activities in mimicking galactose oxidase |
| Authors of publication | Dimeska, Roza; Wikaira, Jan; Mockler, Garry M.; Butcher, Ray J. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 5 |
| Pages of publication | 538 - 544 |
| a | 23.1862 ± 0.001 Å |
| b | 6.4178 ± 0.0003 Å |
| c | 13.1598 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1958.24 ± 0.15 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.1145 |
| Residual factor for significantly intense reflections | 0.0557 |
| Weighted residual factors for significantly intense reflections | 0.0951 |
| Weighted residual factors for all reflections included in the refinement | 0.1207 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215664 (current) | 2019-06-03 | cif/ Updating files of 2021590, 2021591, 2021592 Original log message: Adding full bibliography for 2021590--2021592.cif. |
2021591.cif 2021591.hkl |
| 214610 | 2019-04-12 | cif/ hkl/ Adding structures of 2021590, 2021591, 2021592 via cif-deposit CGI script. |
2021591.cif 2021591.hkl |
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Users of the data should acknowledge the original authors of the
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