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Information card for entry 7055115
Preview
| Coordinates | 7055115.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C70 H108 Cl6 Cu N14 O9 |
|---|---|
| Calculated formula | C70 H108 Cl6 Cu N14 O9 |
| SMILES | c1n(C[C@@](CCc2ccc(cc2)Cl)(O)C(C)(C)C)nc[n]1[Cu]([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)([n]1cn(nc1)C[C@@](O)(CCc1ccc(cc1)Cl)C(C)(C)C)(Cl)Cl.N(C=O)(C)C.O.O.N(C=O)(C)C.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 | 25.8681 ± 0.0018 Å |
| b | 19.8556 ± 0.0018 Å |
| c | 16.277 ± 0.0013 Å |
| α | 90° |
| β | 101.368 ± 0.002° |
| γ | 90° |
| Cell volume | 8196.3 ± 1.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1428 |
| Residual factor for significantly intense reflections | 0.0717 |
| Weighted residual factors for significantly intense reflections | 0.1472 |
| Weighted residual factors for all reflections included in the refinement | 0.1822 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.242 |
| 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. |
7055115.cif |
| 171301 | 2015-12-09 | cif/ Updating files of 7055115, 7055116, 7055117, 7055118 Original log message: Adding full bibliography for 7055115--7055118.cif. |
7055115.cif |
| 158270 | 2015-09-24 | cif/ Adding structures of 7055115, 7055116, 7055117, 7055118 via cif-deposit CGI script. |
7055115.cif |
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