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Information card for entry 2021139
Preview
| Coordinates | 2021139.cif |
|---|---|
| Structure factors | 2021139.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[[(3,5-di-<i>tert</i>-butylbenzene-1,2-diolato)(1,5-di-<i>tert</i>-butyl-4-oxocyclohexa-2,5-dien-1-yl-3-olato)cobalt(III)]-μ-1-hydroxy-1,2,4,5-tetrakis(pyridin-4-yl)cyclohexane]‒ethanol‒water (1/1/5)] |
|---|---|
| Formula | C56 H80 Co N4 O11 |
| Calculated formula | C56 H70 Co N4 O6 |
| Title of publication | Structural investigation of one- and two-dimensional coordination polymers based on cobalt‒bis(dioxolene) units and 1-hydroxy-1,2,4,5-tetrakis(pyridin-4-yl)cyclohexane |
| Authors of publication | Drath, Olga; Gable, Robert W.; Boskovic, Colette |
| Journal of publication | Acta Crystallographica Section C Structural Chemistry |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 6 |
| a | 10.066 ± 0.002 Å |
| b | 16.124 ± 0.003 Å |
| c | 18.205 ± 0.004 Å |
| α | 75.36 ± 0.03° |
| β | 83.11 ± 0.03° |
| γ | 78.68 ± 0.03° |
| Cell volume | 2795.5 ± 1.1 Å3 |
| Cell temperature | 275 K |
| Ambient diffraction temperature | 275 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1229 |
| Residual factor for significantly intense reflections | 0.0865 |
| Weighted residual factors for significantly intense reflections | 0.2452 |
| Weighted residual factors for all reflections included in the refinement | 0.2685 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 207962 (current) | 2018-05-24 | cif/ hkl/ Adding structures of 2021137, 2021138, 2021139, 2021140 via cif-deposit CGI script. |
2021139.cif 2021139.hkl |
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Users of the data should acknowledge the original authors of the
structural data.