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Information card for entry 7047946
Preview
| Coordinates | 7047946.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H58 Co F6 N6 O2 P |
|---|---|
| Calculated formula | C52 H58 Co F5.99999 N6 O2 P |
| Title of publication | Six-coordinate [CoIII(L)2]z (z = 1‒, 0, 1+) complexes of an azo-appended o-aminophenolate in amidate(2‒) and iminosemiquinonate π-radical (1‒) redox-levels: existence of valence-tautomerism |
| Authors of publication | Rajput, Amit; Sharma, Anuj K.; Barman, Suman K.; Lloret, Francesc; Mukherjee, Rabi |
| Journal of publication | Dalton Transactions |
| Year of publication | 2018 |
| a | 31.315 ± 0.003 Å |
| b | 31.315 ± 0.003 Å |
| c | 29.732 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 25250 ± 5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 161 |
| Hermann-Mauguin space group symbol | R 3 c |
| Hall space group symbol | R 3 -2"c |
| Residual factor for all reflections | 0.1038 |
| Residual factor for significantly intense reflections | 0.0786 |
| Weighted residual factors for significantly intense reflections | 0.1985 |
| Weighted residual factors for all reflections included in the refinement | 0.2197 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0419 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211772 (current) | 2018-11-03 | cif/ Adding structures of 7047944, 7047945, 7047946 via cif-deposit CGI script. |
7047946.cif |
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