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Information card for entry 7245409
Preview
| Coordinates | 7245409.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H32 K N8 O6 |
|---|---|
| Calculated formula | C40 H32 K N8 O6 |
| Title of publication | Architectural diversity in the solid-state behaviour of crown ether and [2.2.2]-cryptand complexes of K+TCNQ•– salts |
| Authors of publication | Yan, Bingjia; Horton, Peter; Weston, Simon C.; Wedge, Christopher J.; Russell, Andrea E.; Grossel, Martin C. |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| a | 6.4442 ± 0.0001 Å |
| b | 35.1206 ± 0.0006 Å |
| c | 8.0868 ± 0.0002 Å |
| α | 90° |
| β | 99.84 ± 0.002° |
| γ | 90° |
| Cell volume | 1803.31 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.0379 |
| Residual factor for significantly intense reflections | 0.0332 |
| Weighted residual factors for significantly intense reflections | 0.0884 |
| Weighted residual factors for all reflections included in the refinement | 0.0908 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Diffraction radiation X-ray symbol | K-L~3~ |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277563 (current) | 2022-09-02 | cif/ Adding structures of 7245408, 7245409, 7245410, 7245411, 7245412 via cif-deposit CGI script. |
7245409.cif |
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Users of the data should acknowledge the original authors of the
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