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Information card for entry 7233411
Preview
| Coordinates | 7233411.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H22 Cl4 Co N5 O3 S |
|---|---|
| Calculated formula | C21 H22 Cl4 Co N5 O3 S |
| Title of publication | Relative stability of cis and trans isomers of octahedral cobalt(III) complexes of the type [Co(N2O2)X2] with tetradentate salen type Schiff bases: A combined theoretical and experimental study |
| Authors of publication | Chattopadhyay, Shouvik; Ghosh, Kousik; Banerjee, Snehasis |
| Journal of publication | CrystEngComm |
| Year of publication | 2019 |
| a | 8.1482 ± 0.0007 Å |
| b | 11.8292 ± 0.001 Å |
| c | 13.9004 ± 0.0012 Å |
| α | 79.258 ± 0.002° |
| β | 78.938 ± 0.002° |
| γ | 80.499 ± 0.002° |
| Cell volume | 1280.21 ± 0.19 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.04 |
| Residual factor for significantly intense reflections | 0.0301 |
| Weighted residual factors for significantly intense reflections | 0.1028 |
| Weighted residual factors for all reflections included in the refinement | 0.1289 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217642 (current) | 2019-08-22 | cif/ Adding structures of 7233411 via cif-deposit CGI script. |
7233411.cif |
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Users of the data should acknowledge the original authors of the
structural data.