Crystallography Open Database

Information card for entry 7051098

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Structure parameters

Common name	F2PDT-EDT-TTF, TCNQF4, TCE
Formula	C25 H11 Cl3 F6 N4 S8
Calculated formula	C25 H11 Cl3 F6 N4 S8
SMILES	S1C(SC2=C1SCCS2)=C1SC2=C(S1)SCC(CS2)(F)F.C1(C(=C(C(C(=C1F)F)=C(C#N)C#N)F)F)=C(C#N)C#N.ClCC(Cl)Cl
Journal of publication	New Journal of Chemistry
Year of publication	2001
a	8.5798 ± 0.0017 Å
b	11.544 ± 0.002 Å
c	15.944 ± 0.003 Å
α	93.28 ± 0.03°
β	101.93 ± 0.03°
γ	92.84 ± 0.03°
Cell volume	1539.5 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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