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Information card for entry 7056239
Preview
| Coordinates | 7056239.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H17 Cl2 Cu N3 O |
|---|---|
| Calculated formula | C12 H17 Cl2 Cu N3 O |
| SMILES | [Cu]12(Cl)(Cl)[n]3ccccc3C=[N]1CC[N]12CCOCC1 |
| Title of publication | Mono-, tri- and polynuclear copper(II) complexes of Schiff-base ligands: Synthesis, characterization and catalytic activity towards alcohol oxidation |
| Authors of publication | Bhattacharjee, Aradhita; Halder, Shibashis; Ghosh, Koushik; Rizzoli, Corrado; Roy, Partha |
| Journal of publication | New J. Chem. |
| Year of publication | 2017 |
| a | 24.123 ± 0.006 Å |
| b | 6.7026 ± 0.0016 Å |
| c | 17.89 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2892.6 ± 1.2 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0607 |
| Residual factor for significantly intense reflections | 0.0531 |
| Weighted residual factors for significantly intense reflections | 0.1267 |
| Weighted residual factors for all reflections included in the refinement | 0.1337 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 196995 (current) | 2017-05-26 | cif/ Adding structures of 7056237, 7056238, 7056239 via cif-deposit CGI script. |
7056239.cif |
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