Information card for entry 2233790
Chemical name |
Bis(μ~2~-4,7-dimethyl-4,7-diazadecane-1,10-dithiolato)trinickel(II) bis(perchlorate) |
Formula |
C20 H44 Cl2 N4 Ni3 O8 S4 |
Calculated formula |
C20 H44 Cl2 N4 Ni3 O8 S4 |
SMILES |
C[N]12CCC[S]3[Ni]42[S]([Ni]23[S]3CCC[N]5([Ni]63[S]2CCC[N]6(C)CC5)C)CCC[N]4(CC1)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O |
Title of publication |
Bis(μ~2~-4,7-dimethyl-4,7-diazadecane-1,10-dithiolato)trinickel(II) bis(perchlorate) |
Authors of publication |
Hirotsu, Masakazu; Kuwamura, Naoto; Kinoshita, Isamu; Kojima, Masaaki; Yoshikawa, Yuzo |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2012 |
Journal volume |
68 |
Journal issue |
3 |
Pages of publication |
m307 |
a |
8.0253 ± 0.0019 Å |
b |
16.208 ± 0.004 Å |
c |
12.807 ± 0.003 Å |
α |
90° |
β |
105.033 ± 0.006° |
γ |
90° |
Cell volume |
1608.8 ± 0.7 Å3 |
Cell temperature |
123.1 K |
Ambient diffraction temperature |
123.1 K |
Number of distinct elements |
7 |
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 |
0.037 |
Residual factor for significantly intense reflections |
0.0347 |
Weighted residual factors for all reflections included in the refinement |
0.0819 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.037 |
Diffraction radiation wavelength |
0.71075 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/2233790.html