Information card for entry 2228923
Chemical name |
Bis(μ-4-amino-3,5-dimethyl-4<i>H</i>-1,2,4-triazole)bis[diiodidozinc(II)] |
Formula |
C8 H16 I4 N8 Zn2 |
Calculated formula |
C8 H16 I4 N8 Zn2 |
SMILES |
c1(C)[n]2[n](c(C)n1N)[Zn](I)(I)[n]1c(C)n(c(C)[n]1[Zn]2(I)I)N |
Title of publication |
Bis(μ-4-amino-3,5-dimethyl-4<i>H</i>-1,2,4-triazole)bis[diiodidozinc(II)] |
Authors of publication |
Zhang, Rongxian; Chen, Qiuyun; Yang, Xiaofei; Wu, Xiangyang |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
1 |
Pages of publication |
m26 |
a |
7.4674 ± 0.0019 Å |
b |
13.442 ± 0.003 Å |
c |
11.412 ± 0.003 Å |
α |
90° |
β |
102.598 ± 0.006° |
γ |
90° |
Cell volume |
1117.9 ± 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/c 1 |
Hall space group symbol |
-P 2ybc |
Residual factor for all reflections |
0.0484 |
Residual factor for significantly intense reflections |
0.0397 |
Weighted residual factors for significantly intense reflections |
0.0932 |
Weighted residual factors for all reflections included in the refinement |
0.0984 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.038 |
Diffraction radiation wavelength |
0.7107 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/2228923.html