Information card for entry 1567027
| Formula |
C36 H22 Br2 I N10 |
| Calculated formula |
C36 H22 Br2 I N10 |
| 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 |
7.5693 ± 0.0003 Å |
| b |
13.03 ± 0.0003 Å |
| c |
18.5239 ± 0.0005 Å |
| α |
105.159 ± 0.002° |
| β |
90.971 ± 0.003° |
| γ |
98.382 ± 0.003° |
| Cell volume |
1741.66 ± 0.1 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 |
0.0414 |
| Residual factor for significantly intense reflections |
0.0381 |
| Weighted residual factors for all reflections included in the refinement |
0.1125 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.898 |
| 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/1567027.html
