Information card for entry 7711004
Chemical name |
Tetra-n-butylammonium[bis(1-(2,6-dimethylphenyl)-1H-1,2,3-triazole-4,5- dithiolato)nickelate(II)] |
Formula |
C36 H58 N8 Ni S4 |
Calculated formula |
C36 H58 N8 Ni S4 |
Title of publication |
Synthesis and Coordination Behaviour of 1H-1,2,3-Triazole-4,5-Dithiolates |
Authors of publication |
Schallenberg, David; Pardemann, Nils; Villinger, Alexander; Seidel, Wolfram Willy |
Journal of publication |
Dalton Transactions |
Year of publication |
2022 |
a |
12.1647 ± 0.0013 Å |
b |
9.8068 ± 0.0012 Å |
c |
17.4762 ± 0.0018 Å |
α |
90° |
β |
103.615 ± 0.004° |
γ |
90° |
Cell volume |
2026.3 ± 0.4 Å3 |
Cell temperature |
173 ± 2 K |
Ambient diffraction temperature |
173 ± 2 K |
Number of distinct elements |
5 |
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 |
0.0863 |
Residual factor for significantly intense reflections |
0.0441 |
Weighted residual factors for significantly intense reflections |
0.0914 |
Weighted residual factors for all reflections included in the refinement |
0.1096 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.009 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
Yes |
Has Fobs |
No |
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https://www.crystallography.net/7711004.html