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Information card for entry 2022869
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| Coordinates | 2022869.cif |
|---|---|
| Structure factors | 2022869.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(μ-2-methylpyridine <i>N</i>-oxide-κ^2^<i>O</i>:<i>O</i>)bis[dibromido(2-methylpyridine <i>N</i>-oxide-κ<i>O</i>)cobalt(II)] butanol monosolvate |
|---|---|
| Formula | C28 H38 Br4 Co2 N4 O5 |
| Calculated formula | C28 H38 Br4 Co2 N4 O5 |
| Title of publication | Synthesis, crystal structure and reactivity of bis-(μ-2-methyl-pyridine <i>N</i>-oxide-κ<sup>2</sup><i>O</i>:<i>O</i>)bis-[di-bromido-(2-methyl-pyridine <i>N</i>-oxide-κ<i>O</i>)cobalt(II)] butanol monosolvate. |
| Authors of publication | Näther, Christian; Jess, Inke |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | Pt 11 |
| Pages of publication | 972 - 976 |
| a | 8.09 ± 0.0001 Å |
| b | 9.5772 ± 0.0001 Å |
| c | 12.24 ± 0.0001 Å |
| α | 70.242 ± 0.001° |
| β | 76.004 ± 0.001° |
| γ | 83.86 ± 0.001° |
| Cell volume | 865.693 ± 0.017 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 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 | 0.0245 |
| Residual factor for significantly intense reflections | 0.0244 |
| Weighted residual factors for significantly intense reflections | 0.0648 |
| Weighted residual factors for all reflections included in the refinement | 0.0649 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| 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 |
|---|---|---|---|
| 288152 (current) | 2023-12-07 | cif/ Updating files of 2022869 Original log message: Adding full bibliography for 2022869.cif. |
2022869.cif 2022869.hkl |
| 286651 | 2023-10-04 | cif/ hkl/ Adding structures of 2022869 via cif-deposit CGI script. |
2022869.cif 2022869.hkl |
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Users of the data should acknowledge the original authors of the
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