Crystallography Open Database

Information card for entry 7215492

Preview

Coordinates	7215492.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H18 B F4 O2 S8
Calculated formula	C14 H18 B F4.005 O2 S8
Title of publication	Stereoisomeric semiconducting radical cation salts of chiral bis(2-hydroxypropylthio)ethylenedithioTTF with tetrafluoroborate anions
Authors of publication	Martin, Lee; Wallis, John D.; Guziak, Milena A.; Oxspring, Jack; Lopez, Jordan R.; Nakatsuji, Shin'ichi; Yamada, Jun'ichi; Akutsu, Hiroki
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	24
Pages of publication	5424
a	7.81 ± 0.0013 Å
b	21.238 ± 0.004 Å
c	26.989 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	4476.6 ± 1.4 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for all reflections included in the refinement	0.1232
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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