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Information card for entry 2020726
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| Coordinates | 2020726.cif |
|---|---|
| Structure factors | 2020726.hkl |
| Original IUCr paper | HTML |
| Common name | Cobalt complex, 1 |
|---|---|
| Chemical name | Tetrakis(acetonitrile-κ<i>N</i>)bis(tetrahydrofuran-κ<i>O</i>)cobalt(II) bis[(acetonitrile-κ<i>N</i>)trichloridocobaltate(II)] |
| Formula | C20 H34 Cl6 Co3 N6 O2 |
| Calculated formula | C20 H34 Cl6 Co3 N6 O2 |
| Title of publication | Cobalt(II) chloride adducts with acetonitrile, propan-2-ol and tetrahydrofuran: considerations on nuclearity, reactivity and synthetic applications |
| Authors of publication | Stinghen, Danilo; Rüdiger, André Luis; Giese, Siddhartha O. K.; Nunes, Giovana G.; Soares, Jaísa F.; Hughes, David L. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 2 |
| Pages of publication | 104 - 114 |
| a | 7.7669 ± 0.0006 Å |
| b | 9.1516 ± 0.0006 Å |
| c | 12.4114 ± 0.0009 Å |
| α | 99.665 ± 0.003° |
| β | 104.29 ± 0.003° |
| γ | 93.968 ± 0.003° |
| Cell volume | 837.1 ± 0.11 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0277 |
| Residual factor for significantly intense reflections | 0.0214 |
| Weighted residual factors for significantly intense reflections | 0.0506 |
| Weighted residual factors for all reflections included in the refinement | 0.0528 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 193922 (current) | 2017-03-05 | cif/ hkl/ Adding structures of 2020726, 2020727, 2020728 via cif-deposit CGI script. |
2020726.cif 2020726.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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Users of the data should acknowledge the original authors of the
structural data.