Information card for entry 2211161
Chemical name |
Dichlorobis{1-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-ylmethyl]- 1H-1,2,4-triazole-κN^4^}zinc(II) |
Formula |
C24 H22 Cl6 N6 O4 Zn |
Calculated formula |
C24 H22 Cl6 N6 O4 Zn |
SMILES |
c1(c(cc(cc1)Cl)Cl)C1(OCCO1)Cn1nc[n](c1)[Zn]([n]1cn(CC2(c3c(cc(cc3)Cl)Cl)OCCO2)nc1)(Cl)Cl |
Title of publication |
Dichlorobis(1-{[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl}-1<i>H</i>-1,2,4-triazole-κ<i>N</i>^4^)zinc(II) |
Authors of publication |
Xie, Xue-Qun; Yang, Chun-Long; Li, Qian-Jin; Luo, Jin-Xiang |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2006 |
Journal volume |
62 |
Journal issue |
11 |
Pages of publication |
m3096 - m3097 |
a |
16.662 ± 0.004 Å |
b |
5.5801 ± 0.0013 Å |
c |
16.295 ± 0.004 Å |
α |
90° |
β |
103.958 ± 0.004° |
γ |
90° |
Cell volume |
1470.3 ± 0.6 Å3 |
Cell temperature |
298 ± 2 K |
Ambient diffraction temperature |
298 ± 2 K |
Number of distinct elements |
6 |
Space group number |
5 |
Hermann-Mauguin space group symbol |
C 1 2 1 |
Hall space group symbol |
C 2y |
Residual factor for all reflections |
0.0522 |
Residual factor for significantly intense reflections |
0.048 |
Weighted residual factors for significantly intense reflections |
0.1113 |
Weighted residual factors for all reflections included in the refinement |
0.1138 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.994 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/2211161.html