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Information card for entry 2021592
Preview
| Coordinates | 2021592.cif |
|---|---|
| Structure factors | 2021592.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis[μ-(<i>E</i>)-2-({[3-(diethylamino)propyl]imino}methyl)phenolato]-κ^4^<i>N</i>,<i>N</i>',<i>O</i>:<i>O</i>;κ^4^<i>O</i>:<i>N</i>,<i>N</i>',<i>O</i>-(μ-2-methylbenzoato-κ^2^<i>O</i>:<i>O</i>')copper(II) perchlorate |
|---|---|
| Formula | C32 H41 Cl Cu2 N4 O8 |
| Calculated formula | C32 H41 Cl Cu2 N4 O8 |
| 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 | 10.51085 ± 0.00016 Å |
| b | 22.2419 ± 0.0005 Å |
| c | 28.8403 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6742.3 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.12 |
| Residual factor for significantly intense reflections | 0.0527 |
| Weighted residual factors for significantly intense reflections | 0.1031 |
| Weighted residual factors for all reflections included in the refinement | 0.1349 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301801 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/02 Each referenced PubChem compound corresponds to the full crystal structure. |
2021592.cif 2021592.hkl |
| 215664 | 2019-06-03 | cif/ Updating files of 2021590, 2021591, 2021592 Original log message: Adding full bibliography for 2021590--2021592.cif. |
2021592.cif 2021592.hkl |
| 214610 | 2019-04-12 | cif/ hkl/ Adding structures of 2021590, 2021591, 2021592 via cif-deposit CGI script. |
2021592.cif 2021592.hkl |
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