Crystallography Open Database

Information card for entry 4110780

Preview

Coordinates	4110780.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H4 Cl4 N4 S4
Calculated formula	C18 H4 Cl4 N4 S4
SMILES	C1(Sc2nc3cc(Cl)c(cc3nc2S1)Cl)=C1Sc2c(nc3c(cc(c(c3)Cl)Cl)n2)S1
Title of publication	High Performance n- and p-Type Field-Effect Transistors Based on Tetrathiafulvalene Derivatives
Authors of publication	Naraso; Jun-ichi Nishida; Daisuke Kumaki; Shizuo Tokito; Yoshiro Yamashita
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	9598 - 9599
a	6.1 ± 0.01 Å
b	7.63 ± 0.01 Å
c	10.25 ± 0.01 Å
α	87.63 ± 0.07°
β	78.95 ± 0.06°
γ	77.9 ± 0.07°
Cell volume	457.8 ± 1.1 Å³
Cell temperature	93.2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0841
Weighted residual factors for all reflections included in the refinement	0.2184
Goodness-of-fit parameter for all reflections included in the refinement	1.641
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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