Information card for entry 2218202
Chemical name |
1,1'-(Butane-1,4-diyl)diimidazole-3,3'-diium tetrachloridozincate(II) dihydrate |
Formula |
C10 H20 Cl4 N4 O2 Zn |
Calculated formula |
C10 H20 Cl4 N4 O2 Zn |
SMILES |
c1c[nH+]cn1CCCCn1cc[nH+]c1.O.Cl[Zn](Cl)([Cl-])[Cl-].O |
Title of publication |
1,1'-(Butane-1,4-diyl)diimidazole-3,3'-diium tetrachloridozincate(II) dihydrate |
Authors of publication |
Yu, Ying-Hui; Shi, Ai-E; Su, Yu; Hou, Guang-Feng; Gao, Jin-Sheng |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2008 |
Journal volume |
64 |
Journal issue |
5 |
Pages of publication |
m628 |
a |
7.401 ± 0.0015 Å |
b |
10.927 ± 0.002 Å |
c |
11.058 ± 0.002 Å |
α |
90° |
β |
95.23 ± 0.03° |
γ |
90° |
Cell volume |
890.5 ± 0.3 Å3 |
Cell temperature |
291 ± 2 K |
Ambient diffraction temperature |
291 ± 2 K |
Number of distinct elements |
6 |
Space group number |
13 |
Hermann-Mauguin space group symbol |
P 1 2/n 1 |
Hall space group symbol |
-P 2yac |
Residual factor for all reflections |
0.0389 |
Residual factor for significantly intense reflections |
0.0322 |
Weighted residual factors for significantly intense reflections |
0.0766 |
Weighted residual factors for all reflections included in the refinement |
0.0806 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.068 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2218202.html