Information card for entry 2228485
Common name |
2,3-Bis(methylsulfanyl)-1,4,5,8-tetrathiafulvalene |
Chemical name |
2-(2H-1,3-dithiol-2-ylidene)-4,5-bis(methylsulfanyl)-2H-1,3-dithiole |
Formula |
C8 H8 S6 |
Calculated formula |
C8 H8 S6 |
SMILES |
C1=CSC(=C2SC(=C(S2)SC)SC)S1 |
Title of publication |
2,3-Bis(methylsulfanyl)-1,4,5,8-tetrathiafulvalene |
Authors of publication |
Zheng, Ning-Juan; Yin, Bing-Zhu |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2010 |
Journal volume |
66 |
Journal issue |
12 |
Pages of publication |
o3306 |
a |
19.368 ± 0.011 Å |
b |
7.703 ± 0.004 Å |
c |
17.15 ± 0.008 Å |
α |
90° |
β |
108.59 ± 0.02° |
γ |
90° |
Cell volume |
2425 ± 2 Å3 |
Cell temperature |
291 ± 2 K |
Ambient diffraction temperature |
291 ± 2 K |
Number of distinct elements |
3 |
Space group number |
15 |
Hermann-Mauguin space group symbol |
C 1 2/c 1 |
Hall space group symbol |
-C 2yc |
Residual factor for all reflections |
0.0344 |
Residual factor for significantly intense reflections |
0.0306 |
Weighted residual factors for significantly intense reflections |
0.0797 |
Weighted residual factors for all reflections included in the refinement |
0.0825 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.034 |
Diffraction radiation wavelength |
0.71073 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/2228485.html