Information card for entry 2017729
Common name |
18-Crown-6 propane-1,3-diaminium tetrachlorozincate(II) clathrate |
Chemical name |
propane-1,3-diaminium tetrachloridozincate(II)‒ 1,4,7,10,13,16-hexaoxacyclooctadecane (1/1) |
Formula |
C15 H36 Cl4 N2 O6 Zn |
Calculated formula |
C15 H36 Cl4 N2 O6 Zn |
SMILES |
[Zn](Cl)(Cl)([Cl-])[Cl-].O1CCOCCOCCOCCOCCOCC1.[NH3+]CCC[NH3+] |
Title of publication |
Propane-1,3-diaminium tetrachloridozincate(II) 18-crown-6 clathrate |
Authors of publication |
Zhao, Min Min; Qu, Zhi Rong |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
2010 |
Journal volume |
66 |
Journal issue |
7 |
Pages of publication |
m188 - m190 |
a |
9.134 ± 0.003 Å |
b |
9.862 ± 0.003 Å |
c |
27.81 ± 0.008 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
2505.1 ± 1.3 Å3 |
Cell temperature |
93 K |
Ambient diffraction temperature |
93 K |
Number of distinct elements |
6 |
Space group number |
19 |
Hermann-Mauguin space group symbol |
P 21 21 21 |
Hall space group symbol |
P 2ac 2ab |
Residual factor for all reflections |
0.0328 |
Residual factor for significantly intense reflections |
0.029 |
Weighted residual factors for significantly intense reflections |
0.0785 |
Weighted residual factors for all reflections included in the refinement |
0.0952 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.114 |
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/2017729.html