Information card for entry 2232679
Chemical name |
1-(2,4-Dichlorobenzyl)pyridinium bis(2-sulfanylidene-1,3-dithiole- 4,5-dithiolato-κ^2^<i>S</i>,<i>S</i>')nickelate(III) |
Formula |
C18 H10 Cl2 N Ni S10 |
Calculated formula |
C18 H10 Cl2 N Ni S10 |
SMILES |
[Ni]12(SS3SC(=S)SC=3S2)SC2SC(=S)SC=2S1.c1(cc(ccc1C[n+]1ccccc1)Cl)Cl |
Title of publication |
1-(2,4-Dichlorobenzyl)pyridinium bis(2-sulfanylidene-1,3-dithiole-4,5-dithiolato-κ^2^<i>S</i>,<i>S</i>')nickelate(III) |
Authors of publication |
Liu, Guang-Xiang |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
12 |
Pages of publication |
m1654 |
a |
14.4614 ± 0.0005 Å |
b |
8.2158 ± 0.0003 Å |
c |
21.8894 ± 0.0008 Å |
α |
90° |
β |
107.231 ± 0.001° |
γ |
90° |
Cell volume |
2484 ± 0.16 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
6 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/c 1 |
Hall space group symbol |
-P 2ybc |
Residual factor for all reflections |
0.0395 |
Residual factor for significantly intense reflections |
0.0335 |
Weighted residual factors for significantly intense reflections |
0.0883 |
Weighted residual factors for all reflections included in the refinement |
0.0924 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.043 |
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/2232679.html