Information card for entry 2225608
Chemical name |
[(<i>E</i>)-But-2-enoato-κ<i>O</i>]chlorido(2,2'-diamino-4,4'-bi-1,3- thiazole-κ^2^<i>N</i>^3^,<i>N</i>^3'^)zinc(II) monohydrate |
Formula |
C10 H13 Cl N4 O3 S2 Zn |
Calculated formula |
C10 H13 Cl N4 O3 S2 Zn |
SMILES |
[Zn]1(Cl)([n]2c(scc2c2[n]1c(sc2)N)N)OC(=O)/C=C/C.O |
Title of publication |
[(<i>E</i>)-But-2-enoato-κ<i>O</i>]chlorido(2,2'-diamino-4,4'-bi-1,3-thiazole-κ^2^<i>N</i>^3^,<i>N</i>^3'^)zinc(II) monohydrate |
Authors of publication |
Du, Mei; Wang, Yan-Li; Liu, Bing-Xin; Xu, Duan-Jun |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2010 |
Journal volume |
66 |
Journal issue |
4 |
Pages of publication |
m466 |
a |
7.2782 ± 0.0013 Å |
b |
16.2846 ± 0.0016 Å |
c |
13.237 ± 0.002 Å |
α |
90° |
β |
99.252 ± 0.016° |
γ |
90° |
Cell volume |
1548.5 ± 0.4 Å3 |
Cell temperature |
294 ± 2 K |
Ambient diffraction temperature |
294 ± 2 K |
Number of distinct elements |
7 |
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 |
0.0406 |
Residual factor for significantly intense reflections |
0.032 |
Weighted residual factors for significantly intense reflections |
0.0754 |
Weighted residual factors for all reflections included in the refinement |
0.0797 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.054 |
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/2225608.html