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Information card for entry 7047945
Preview
| Coordinates | 7047945.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C64 H71 Co2 N7 O2 |
|---|---|
| Calculated formula | C64 H71 Co2 N7 O2 |
| 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 | 22.6297 ± 0.0014 Å |
| b | 14.1505 ± 0.0009 Å |
| c | 17.512 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5607.7 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0636 |
| Residual factor for significantly intense reflections | 0.0484 |
| Weighted residual factors for significantly intense reflections | 0.1049 |
| Weighted residual factors for all reflections included in the refinement | 0.1125 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.987 |
| 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. |
7047945.cif |
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