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Information card for entry 7055118
Preview
| Coordinates | 7055118.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C64 H88 Cl6 Cu N12 O12 |
|---|---|
| Calculated formula | C64 H88 Cl6 Cu N12 O12 |
| SMILES | c1[n](cnn1C[C@](CCc1ccc(cc1)Cl)(O)C(C)(C)C)[Cu]([n]1cn(nc1)C[C@](O)(CCc1ccc(cc1)Cl)C(C)(C)C)([n]1cn(C[C@@](CCc2ccc(cc2)Cl)(O)C(C)(C)C)nc1)[n]1cn(nc1)C[C@@](O)(CCc1ccc(cc1)Cl)C(C)(C)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O |
| Title of publication | Synergistic actions between tebuconazole ligand and Cu(ii) cation: reasons for the enhanced antifungal activity of four Cu(ii) complexes based on the fungicide tebuconazole |
| Authors of publication | Li, Jie; Xi, Teng; Yan, Biao; Guan, Yulei; Yang, Mingyan; Song, Jirong; Ma, Haixia |
| Journal of publication | New J. Chem. |
| Year of publication | 2015 |
| Journal volume | 39 |
| Journal issue | 12 |
| Pages of publication | 9550 |
| a | 9.713 ± 0.002 Å |
| b | 13.623 ± 0.003 Å |
| c | 15.213 ± 0.003 Å |
| α | 65.309 ± 0.002° |
| β | 84.32 ± 0.002° |
| γ | 79.878 ± 0.002° |
| Cell volume | 1799.7 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.07 |
| Residual factor for significantly intense reflections | 0.0527 |
| Weighted residual factors for significantly intense reflections | 0.1462 |
| Weighted residual factors for all reflections included in the refinement | 0.1614 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7055118.cif |
| 171301 | 2015-12-09 | cif/ Updating files of 7055115, 7055116, 7055117, 7055118 Original log message: Adding full bibliography for 7055115--7055118.cif. |
7055118.cif |
| 158270 | 2015-09-24 | cif/ Adding structures of 7055115, 7055116, 7055117, 7055118 via cif-deposit CGI script. |
7055118.cif |
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