Information card for entry 7711000
Chemical name |
1-(2,6-Dimethylphenyl)-4,5-bis(benzylsulfanyl)-1H-1,2,3-triazole |
Formula |
C24 H23 N3 S2 |
Calculated formula |
C24 H23 N3 S2 |
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 |
7.7879 ± 0.0004 Å |
b |
8.0677 ± 0.0004 Å |
c |
17.5632 ± 0.0008 Å |
α |
82.267 ± 0.002° |
β |
84.301 ± 0.002° |
γ |
80.255 ± 0.002° |
Cell volume |
1074.38 ± 0.09 Å3 |
Cell temperature |
173 ± 2 K |
Ambient diffraction temperature |
173 ± 2 K |
Number of distinct elements |
4 |
Space group number |
2 |
Hermann-Mauguin space group symbol |
P -1 |
Hall space group symbol |
-P 1 |
Residual factor for all reflections |
0.0554 |
Residual factor for significantly intense reflections |
0.0389 |
Weighted residual factors for significantly intense reflections |
0.0959 |
Weighted residual factors for all reflections included in the refinement |
0.1058 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.021 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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https://www.crystallography.net/7711000.html