Information card for entry 2228428
Chemical name |
4,4'-(1,3,4-Oxadiazole-2,5-diyl)dipyridinium dibromide monohydrate |
Formula |
C12 H12 Br2 N4 O2 |
Calculated formula |
C12 H12 Br2 N4 O2 |
SMILES |
[Br-].o1c(nnc1c1cc[nH+]cc1)c1cc[nH+]cc1.[Br-].O |
Title of publication |
4,4'-(1,3,4-Oxadiazole-2,5-diyl)dipyridinium dibromide monohydrate |
Authors of publication |
Han, Meng Ting; Zhang, Yuan |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2010 |
Journal volume |
66 |
Journal issue |
12 |
Pages of publication |
o3212 |
a |
5.2917 ± 0.0011 Å |
b |
17.531 ± 0.004 Å |
c |
15.909 ± 0.003 Å |
α |
90° |
β |
95.42 ± 0.03° |
γ |
90° |
Cell volume |
1469.3 ± 0.5 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
5 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/n 1 |
Hall space group symbol |
-P 2yn |
Residual factor for all reflections |
0.1122 |
Residual factor for significantly intense reflections |
0.0608 |
Weighted residual factors for significantly intense reflections |
0.096 |
Weighted residual factors for all reflections included in the refinement |
0.1105 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.055 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2228428.html