Information card for entry 7230159
Formula |
C16 H10 Cl2 N3 O4 |
Calculated formula |
C16 H10 Cl2 N3 O4 |
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 |
19.9026 ± 0.0002 Å |
b |
6.7671 ± 0.0001 Å |
c |
23.9113 ± 0.0002 Å |
α |
90° |
β |
104.552 ± 0.001° |
γ |
90° |
Cell volume |
3117.13 ± 0.06 Å3 |
Cell temperature |
100 ± 2 K |
Ambient diffraction temperature |
100 ± 2 K |
Number of distinct elements |
5 |
Space group number |
9 |
Hermann-Mauguin space group symbol |
I 1 a 1 |
Hall space group symbol |
I -2ya |
Residual factor for all reflections |
0.0335 |
Residual factor for significantly intense reflections |
0.0332 |
Weighted residual factors for all reflections included in the refinement |
0.087 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.898 |
Diffraction radiation wavelength |
1.54179 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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https://www.crystallography.net/7230159.html