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Information card for entry 2022242
Preview
| Coordinates | 2022242.cif |
|---|---|
| Structure factors | 2022242.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>N</i>,<i>N</i>-Dibutyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')[tris(3,5-diphenylpyrazol-1-yl-κ<i>N</i>^2^)hydroborato]cobalt(II) |
|---|---|
| Formula | C54 H52 B Co N7 S2 |
| Calculated formula | C54 H52 B Co N7 S2 |
| Title of publication | Conformational polymorphism in a cobalt(II) dithiocarbamate complex |
| Authors of publication | Songkerdthong, Jetnipat; Harding, Phimphaka; Harding, David J. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 9 |
| a | 26.26089 ± 0.00017 Å |
| b | 12.39989 ± 0.00008 Å |
| c | 29.17764 ± 0.00019 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9501.18 ± 0.11 Å3 |
| Cell temperature | 149.7 ± 0.8 K |
| Ambient diffraction temperature | 149.7 ± 0.8 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0403 |
| Residual factor for significantly intense reflections | 0.0356 |
| Weighted residual factors for significantly intense reflections | 0.0893 |
| Weighted residual factors for all reflections included in the refinement | 0.092 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255738 (current) | 2020-08-29 | cif/ hkl/ Adding structures of 2022242, 2022243 via cif-deposit CGI script. |
2022242.cif 2022242.hkl |
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Users of the data should acknowledge the original authors of the
structural data.