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Information card for entry 2023159
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| Coordinates | 2023159.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Tris{<i>N</i>,<i>N</i>-diethyl-<i>N</i>'-[(4-nitrophenyl)(oxo)methyl]carbamimidothioato}cobalt(III) |
|---|---|
| Formula | C36 H42 Co N9 O9 S3 |
| Calculated formula | C36 H42 Co N9 O9 S3 |
| Title of publication | Crystal structure of tris-{<i>N</i>,<i>N</i>-diethyl-<i>N</i>'-[(4-nitro-phen-yl)(oxo)meth-yl]carbamimido-thio-ato}cobalt(III). |
| Authors of publication | Roecker, Lee; Parkin, Sean |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | Pt 7 |
| Pages of publication | 713 - 716 |
| a | 16.6906 ± 0.0003 Å |
| b | 16.6906 ± 0.0003 Å |
| c | 9.1346 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 2203.76 ± 0.07 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 147 |
| Hermann-Mauguin space group symbol | P -3 |
| Hall space group symbol | -P 3 |
| Residual factor for all reflections | 0.0311 |
| Residual factor for significantly intense reflections | 0.0299 |
| Weighted residual factors for significantly intense reflections | 0.0823 |
| Weighted residual factors for all reflections included in the refinement | 0.0833 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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