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Information card for entry 2243953
Preview
| Coordinates | 2243953.cif |
|---|---|
| Structure factors | 2243953.hkl |
| Original IUCr paper | HTML |
| Chemical name | (7-Methylindolin-1-ido-κ<i>N</i>)(1,4,7,10,13,16-hexaoxacyclooctadecane-κ^6^<i>O</i>)potassium |
|---|---|
| Formula | C21 H32 K N O6 |
| Calculated formula | C21 H32 K N O6 |
| Title of publication | Crystal structures of two novel iron isocyanides from the reaction of 2,6-dimethylphenyl isocyanide, CNXyl, with bis(anthracene)ferrate({-}1) |
| Authors of publication | Brennessel, William W.; Ellis, John E. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 1 |
| a | 10.784 ± 0.003 Å |
| b | 9.754 ± 0.003 Å |
| c | 21.783 ± 0.007 Å |
| α | 90° |
| β | 91.864 ± 0.004° |
| γ | 90° |
| Cell volume | 2290.1 ± 1.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0866 |
| Residual factor for significantly intense reflections | 0.0586 |
| Weighted residual factors for significantly intense reflections | 0.149 |
| Weighted residual factors for all reflections included in the refinement | 0.1698 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271492 (current) | 2021-12-17 | cif/ hkl/ Adding structures of 2243951, 2243952, 2243953 via cif-deposit CGI script. |
2243953.cif 2243953.hkl |
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