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Information card for entry 2241058
Preview
| Coordinates | 2241058.cif |
|---|---|
| Structure factors | 2241058.hkl |
| Original IUCr paper | HTML |
| Chemical name | {2,2'-[Ethane-1,2-diylbis(nitrilomethanylylidene)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>}(<i>N</i>-ferrocenylisonicotinamide-κ<i>N</i>^1^)cobalt(II) |
|---|---|
| Formula | C32 H28 Co Fe N4 O3 |
| Calculated formula | C32 H28 Co Fe N4 O3 |
| Title of publication | Crystal structure of an unknown solvate of {2,2'-[ethane-1,2-diylbis(nitrilomethanylylidene)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}(<i>N</i>-ferrocenylisonicotinamide-κ<i>N</i>^1^)cobalt(II): a Co^II^‒salen complex that forms hydrogen-bonded dimers |
| Authors of publication | Brautigam, Bryan; Herholdt, Chelsea; Farnsworth, William; Brudi, Ellen; McDonald, Eric; Wu, Guang; Contakes, Stephen |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 9 |
| Pages of publication | 1100 - 1104 |
| a | 10.684 ± 0.002 Å |
| b | 11.989 ± 0.003 Å |
| c | 13.858 ± 0.003 Å |
| α | 80.22 ± 0.005° |
| β | 85.234 ± 0.005° |
| γ | 80.047 ± 0.005° |
| Cell volume | 1720.3 ± 0.7 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.1221 |
| Residual factor for significantly intense reflections | 0.0563 |
| Weighted residual factors for significantly intense reflections | 0.1148 |
| Weighted residual factors for all reflections included in the refinement | 0.1355 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.927 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181911 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/10. |
2241058.cif 2241058.hkl |
| 153703 | 2015-08-27 | cif/ hkl/ Adding structures of 2241058 via cif-deposit CGI script. |
2241058.cif 2241058.hkl |
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Users of the data should acknowledge the original authors of the
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