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Information card for entry 2020606
Preview
| Coordinates | 2020606.cif |
|---|---|
| Structure factors | 2020606.hkl |
| Original IUCr paper | HTML |
| Chemical name | (μ-3,4-Diacetylhexa-2,4-diene-2,5-diolato-κ^4^<i>O</i>^2^,<i>O</i>^3^:<i>O</i>^4^,<i>O</i>^5^)bis{[tris(3-cyclohexyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)borato]cobalt(II)} acetonitrile disolvate |
|---|---|
| Formula | C68 H98 B2 Co2 N14 O4 |
| Calculated formula | C68 H98 B2 Co2 N14 O4 |
| Title of publication | New homodinuclear tris(3-alkylpyrazolyl)borate complexes of Co^II^ and Ni^II^ with a tetraacetylethane dianion as a bridging ligand |
| Authors of publication | Mikhalyova, Elena A.; Trofimenko, Swiatoslaw; Zeller, Matthias; Addison, Anthony W.; Pavlishchuk, Vitaly V. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 11 |
| Pages of publication | 777 - 785 |
| a | 13.175 ± 0.007 Å |
| b | 13.672 ± 0.007 Å |
| c | 19.571 ± 0.01 Å |
| α | 77.203 ± 0.007° |
| β | 80.89 ± 0.007° |
| γ | 89.522 ± 0.007° |
| Cell volume | 3393 ± 3 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 | 0.1678 |
| Residual factor for significantly intense reflections | 0.0826 |
| Weighted residual factors for significantly intense reflections | 0.1973 |
| Weighted residual factors for all reflections included in the refinement | 0.229 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.17 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 188941 (current) | 2016-12-06 | cif/ Updating files of 2020606, 2020607 Original log message: Adding full bibliography for 2020606--2020607.cif. |
2020606.cif 2020606.hkl |
| 186993 | 2016-10-07 | cif/ hkl/ Adding structures of 2020606, 2020607 via cif-deposit CGI script. |
2020606.cif 2020606.hkl |
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Users of the data should acknowledge the original authors of the
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