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Information card for entry 7054308
Preview
| Coordinates | 7054308.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H18 Cl18 Co N9 O2 S2 |
|---|---|
| Calculated formula | C16 H18 Cl18 Co N9 O2 S2 |
| Title of publication | Halogen-bonded tris(2,4-bis(trichloromethyl)-1,3,5-triazapentadienato)-M(iii) [M = Mn, Fe, Co] complexes and their catalytic activity in the peroxidative oxidation of 1-phenylethanol to acetophenone |
| Authors of publication | Shixaliyev, Namiq Q.; Gurbanov, Atash V.; Maharramov, Abel M.; Mahmudov, Kamran T.; Kopylovich, Maximilian N.; Martins, Luísa M. D. R. S.; Muzalevskiy, Vasily M.; Nenajdenko, Valentine G.; Pombeiro, Armando J. L. |
| Journal of publication | New J. Chem. |
| Year of publication | 2014 |
| Journal volume | 38 |
| Journal issue | 10 |
| Pages of publication | 4807 |
| a | 10.171 ± 0.003 Å |
| b | 13.499 ± 0.004 Å |
| c | 16.468 ± 0.005 Å |
| α | 79.309 ± 0.006° |
| β | 76.007 ± 0.006° |
| γ | 74.967 ± 0.006° |
| Cell volume | 2100.6 ± 1.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1234 |
| Residual factor for significantly intense reflections | 0.077 |
| Weighted residual factors for significantly intense reflections | 0.1981 |
| Weighted residual factors for all reflections included in the refinement | 0.2395 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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