Crystallography Open Database

Information card for entry 2000729

2000728 << 2000729 >> 2000730

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Original IUCr paper	HTML

Structure parameters

Chemical name	ε-[3,4;3',4'-bis(ethylenedithio)-2,2',5,5'-tetrathiafulvalenium] hexafluorophosphate
Formula	C10 H8 F6 P S8
Calculated formula	C10 H8 F6 P S8
Title of publication	Structure of {εpsilon}-(BEDT-TTF)PF~6~
Authors of publication	Bu, X.; Cisarova, I.; Coppens, P.
Journal of publication	Acta Crystallographica Section C
Year of publication	1992
Journal volume	48
Journal issue	8
Pages of publication	1562 - 1563
a	14.527 ± 0.001 Å
b	10.735 ± 0.002 Å
c	5.9233 ± 0.0006 Å
α	90°
β	105.559 ± 0.008°
γ	90°
Cell volume	889.9 ± 0.2 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for significantly intense reflections	0.082
Weighted residual factors for significantly intense reflections	0.114
Goodness-of-fit parameter for significantly intense reflections	6.4
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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