Information card for entry 2233144
Common name |
2,5-Bis(1,3-dithiol-2-ylidene)-1,3-dithiolane-4-thione |
Formula |
C9 H4 S7 |
Calculated formula |
C9 H4 S7 |
SMILES |
S=C1SC(=C2SC=CS2)SC1=C1SC=CS1 |
Title of publication |
2,5-Bis(1,3-dithiol-2-ylidene)-1,3-dithiolane-4-thione |
Authors of publication |
Ueda, Kazumasa; Suzuki, Kenta; Kunimoto, Kei; Yoza, Kenji |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2012 |
Journal volume |
68 |
Journal issue |
1 |
Pages of publication |
o52 |
a |
17.669 ± 0.005 Å |
b |
3.911 ± 0.0011 Å |
c |
18.38 ± 0.005 Å |
α |
90° |
β |
108.177 ± 0.004° |
γ |
90° |
Cell volume |
1206.7 ± 0.6 Å3 |
Cell temperature |
93 K |
Ambient diffraction temperature |
93 K |
Number of distinct elements |
3 |
Space group number |
4 |
Hermann-Mauguin space group symbol |
P 1 21 1 |
Hall space group symbol |
P 2yb |
Residual factor for all reflections |
0.1058 |
Residual factor for significantly intense reflections |
0.0609 |
Weighted residual factors for significantly intense reflections |
0.0926 |
Weighted residual factors for all reflections included in the refinement |
0.1072 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.976 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
Yes |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2233144.html