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Information card for entry 2020728
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| Coordinates | 2020728.cif |
|---|---|
| Structure factors | 2020728.hkl |
| Original IUCr paper | HTML |
| Common name | Cobalt complex 3 |
|---|---|
| Chemical name | Di-μ-chlorido-1:2κ^4^<i>Cl</i>:<i>Cl</i>-dichlorido-2κ^2^<i>Cl</i>-tetrakis(tetrahydrofuran-1κ<i>O</i>)dicobalt(II) |
| Formula | C16 H32 Cl4 Co2 O4 |
| Calculated formula | C16 H32 Cl4 Co2 O4 |
| SMILES | C1CCC[O]1[Co]1([O]2CCCC2)([O]2CCCC2)([O]2CCCC2)[Cl][Co](Cl)(Cl)[Cl]1 |
| 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 | 14.733 ± 0.003 Å |
| b | 9.6318 ± 0.0017 Å |
| c | 15.993 ± 0.004 Å |
| α | 90° |
| β | 93.737 ± 0.008° |
| γ | 90° |
| Cell volume | 2264.7 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1222 |
| Residual factor for significantly intense reflections | 0.058 |
| Weighted residual factors for significantly intense reflections | 0.1182 |
| Weighted residual factors for all reflections included in the refinement | 0.1328 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.936 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
2020728.cif 2020728.hkl |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.