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Information card for entry 7245409
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Coordinates | 7245409.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H32 K N8 O6 |
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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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7245409.html
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structural data.