Information card for entry 1567020
| Formula |
C18 H11 Br1.5 N5 |
| Calculated formula |
C18 H11 Br1.5 N5 |
| Title of publication |
Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals |
| Authors of publication |
Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka |
| Journal of publication |
IUCrJ |
| Year of publication |
2022 |
| Journal volume |
9 |
| Journal issue |
4 |
| a |
7.2378 ± 0.0004 Å |
| b |
7.7475 ± 0.0004 Å |
| c |
17.8746 ± 0.0012 Å |
| α |
83.578 ± 0.005° |
| β |
83.241 ± 0.005° |
| γ |
67.104 ± 0.005° |
| Cell volume |
914.53 ± 0.1 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0723 |
| Residual factor for significantly intense reflections |
0.0659 |
| Weighted residual factors for all reflections included in the refinement |
0.215 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.055 |
| Diffraction radiation wavelength |
1.54184 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/1567020.html
