Information card for entry 7230153
| Formula |
C16 H12 Cl2 N3 O2 |
| Calculated formula |
C16 H12 Cl2 N3 O2 |
| Title of publication |
Probing semiconductivity in crystals of stable semiquinone radicals: organic salts of 5,6-dichloro-2,3-dicyanosemiquinone (DDQ) radical anions |
| Authors of publication |
Molčanov, Krešimir; Stalke, Dietmar; Šantić, Ana; Demeshko, Serhiy; Stilinović, Vladimir; Mou, Zhongyu; Kertesz, Miklos; Kojić-Prodić, Biserka |
| Journal of publication |
CrystEngComm |
| Year of publication |
2018 |
| Journal volume |
20 |
| Journal issue |
13 |
| Pages of publication |
1862 |
| a |
16.311 ± 0.0003 Å |
| b |
13.4662 ± 0.0002 Å |
| c |
14.4537 ± 0.0002 Å |
| α |
90° |
| β |
90° |
| γ |
90° |
| Cell volume |
3174.71 ± 0.09 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
5 |
| Space group number |
60 |
| Hermann-Mauguin space group symbol |
P b c n |
| Hall space group symbol |
-P 2n 2ab |
| Residual factor for all reflections |
0.0474 |
| Residual factor for significantly intense reflections |
0.0437 |
| Weighted residual factors for all reflections included in the refinement |
0.1256 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.049 |
| 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/7230153.html
