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Information card for entry 7243513
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Coordinates | 7243513.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H40 Li N8 O8 |
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Calculated formula | C40 H40 Li N8 O8 |
Title of publication | Novel TCNQ-stacking motifs in (12-crown-4)-complexes of alkali metal TCNQ salts |
Authors of publication | Yan, Bingjia; Horton, Peter N.; Weston, Simon C.; Russell, Andrea E.; Grossel, Martin C. |
Journal of publication | CrystEngComm |
Year of publication | 2021 |
Journal volume | 23 |
Journal issue | 38 |
Pages of publication | 6755 - 6760 |
a | 8.2066 ± 0.0004 Å |
b | 13.7299 ± 0.0006 Å |
c | 17.8792 ± 0.0008 Å |
α | 72.441 ± 0.004° |
β | 83.006 ± 0.004° |
γ | 86.623 ± 0.004° |
Cell volume | 1905.87 ± 0.16 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1237 |
Residual factor for significantly intense reflections | 0.0529 |
Weighted residual factors for significantly intense reflections | 0.0987 |
Weighted residual factors for all reflections included in the refinement | 0.1151 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.995 |
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 | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7243513.html
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Users of the data should acknowledge the original authors of the
structural data.