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Information card for entry 2021533
Preview
| Coordinates | 2021533.cif |
|---|---|
| Structure factors | 2021533.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tetrakis{μ-2-[2-(2,6-dichloroanilino)phenyl]acetato-κ^2^<i>O</i>:<i>O</i>'}bis(methanol-κ<i>O</i>)copper(II) |
|---|---|
| Formula | C58 H48 Cl8 Cu2 N4 O10 |
| Calculated formula | C58 H48 Cl8 Cu2 N4 O10 |
| SMILES | [Cu]1234([Cu]([O]=C(O1)Cc1ccccc1Nc1c(Cl)cccc1Cl)(OC(=[O]3)Cc1c(Nc3c(Cl)cccc3Cl)cccc1)([O]=C(O2)Cc1c(Nc2c(Cl)cccc2Cl)cccc1)(OC(=[O]4)Cc1ccccc1Nc1c(Cl)cccc1Cl)[OH]C)[OH]C |
| Title of publication | Synthesis, crystal structures and characterizations of three new copper(II) complexes including anti-inflammatory diclofenac |
| Authors of publication | Hamamci Alisir, Sevim; Dege, Necmi; Tapramaz, Recep |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 4 |
| Pages of publication | 388 - 397 |
| a | 10.5258 ± 0.0005 Å |
| b | 11.9908 ± 0.0006 Å |
| c | 13.0098 ± 0.0007 Å |
| α | 113.097 ± 0.004° |
| β | 90.217 ± 0.004° |
| γ | 99.529 ± 0.004° |
| Cell volume | 1485.26 ± 0.14 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0484 |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for significantly intense reflections | 0.0877 |
| Weighted residual factors for all reflections included in the refinement | 0.0915 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.982 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214918 (current) | 2019-05-03 | cif/ Updating files of 2021533, 2021534, 2021535 Original log message: Adding full bibliography for 2021533--2021535.cif. |
2021533.cif 2021533.hkl |
| 214000 | 2019-03-06 | cif/ hkl/ Adding structures of 2021533, 2021534, 2021535 via cif-deposit CGI script. |
2021533.cif 2021533.hkl |
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Users of the data should acknowledge the original authors of the
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