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Information card for entry 7243509
Preview
Coordinates | 7243509.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H36 Li N4 O8 |
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Calculated formula | C28 H36 Li N4 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 | 16.8468 ± 0.0003 Å |
b | 20.5523 ± 0.0004 Å |
c | 8.3102 ± 0.0002 Å |
α | 90° |
β | 90.541 ± 0.002° |
γ | 90° |
Cell volume | 2877.2 ± 0.1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0554 |
Residual factor for significantly intense reflections | 0.0388 |
Weighted residual factors for significantly intense reflections | 0.0929 |
Weighted residual factors for all reflections included in the refinement | 0.1014 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/7243509.html
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Users of the data should acknowledge the original authors of the
structural data.