Information card for entry 2210725
Chemical name |
Bis(N,N-diethyldithiocarbamato-κ^2^S,S')(3,5-dimethylpyrazolato-κN)zinc(II) |
Formula |
C15 H28 N4 S4 Zn |
Calculated formula |
C15 H28 N4 S4 Zn |
SMILES |
[Zn]12(SC(=[S]1)N(CC)CC)(SC(=[S]2)N(CC)CC)[n]1[nH]c(cc1C)C |
Title of publication |
Bis(<i>N</i>,<i>N</i>-diethyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')(3,5-dimethylpyrazolato-κ<i>N</i>)zinc(II) |
Authors of publication |
Chen, Yang; Li, Hong-Xi; Tang, Xiao-Yan; Liu, Cheng-Wu; Lang, Jian-Ping |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2006 |
Journal volume |
62 |
Journal issue |
10 |
Pages of publication |
m2564 - m2566 |
a |
14.724 ± 0.003 Å |
b |
8.8631 ± 0.0018 Å |
c |
17.464 ± 0.004 Å |
α |
90° |
β |
114.71 ± 0.03° |
γ |
90° |
Cell volume |
2070.4 ± 0.9 Å3 |
Cell temperature |
193 ± 2 K |
Ambient diffraction temperature |
193 ± 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 |
0.0434 |
Residual factor for significantly intense reflections |
0.0366 |
Weighted residual factors for significantly intense reflections |
0.0759 |
Weighted residual factors for all reflections included in the refinement |
0.0789 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.082 |
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/2210725.html