Information card for entry 1558621
Chemical name |
Tris[<i>N</i>,<i>N</i>-bis(3,5-di-<i>tert</i>-butylbenzyl)dithiocarbamato-κ^2^<i>S</i>,<i>S</i>']-μ~3~-sulfido-tris-μ~2~-disulfido-<i>triangulo</i>-trimolybdenum(IV) iodide |
Formula |
C93 H138 I Mo3 N3 S13 |
Calculated formula |
C93 H138 I Mo3 N3 S13 |
Title of publication |
Tris[<i>N</i>,<i>N</i>-bis(3,5-di-<i>tert</i>-butylbenzyl)dithiocarbamato-κ^2^<i>S</i>,<i>S</i>']-μ~3~-sulfido-tris-μ~2~-disulfido-<i>triangulo</i>-trimolybdenum(IV) iodide |
Authors of publication |
Chen, Yueli; Wang, Bo; Fontenot, Patricia; Donahue, James P. |
Journal of publication |
IUCrData |
Year of publication |
2020 |
Journal volume |
5 |
Journal issue |
7 |
Pages of publication |
x200939 |
a |
23.6627 ± 0.0012 Å |
b |
23.6627 ± 0.0012 Å |
c |
10.9815 ± 0.0006 Å |
α |
90° |
β |
90° |
γ |
120° |
Cell volume |
5325 ± 0.5 Å3 |
Cell temperature |
150 ± 2 K |
Ambient diffraction temperature |
150 ± 2 K |
Number of distinct elements |
6 |
Space group number |
159 |
Hermann-Mauguin space group symbol |
P 3 1 c |
Hall space group symbol |
P 3 -2c |
Residual factor for all reflections |
0.0427 |
Residual factor for significantly intense reflections |
0.0366 |
Weighted residual factors for significantly intense reflections |
0.1004 |
Weighted residual factors for all reflections included in the refinement |
0.1036 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.059 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
Yes |
Has Fobs |
Yes |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/1558621.html