Crystallography Open Database

Information card for entry 2000730

2000729 << 2000730 >> 2000731

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Original IUCr paper	HTML

Structure parameters

Chemical name	ζ-di[3,4;3',4'-bis(ethylenedithio)-2,2',5,5'-tetrathiafulvalenium] hexafluorophosphate
Formula	C24 H24 F6 O P S16
Calculated formula	C24 H24 F6 O2 P S16
Title of publication	Structure of ζ-(BEDT-TTF)~2~PF~6~.C~4~H~8~O~2~
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	1563 - 1565
a	8.293 ± 0.001 Å
b	6.703 ± 0.001 Å
c	33.02 ± 0.008 Å
α	90°
β	91.87 ± 0.02°
γ	90°
Cell volume	1834.5 ± 0.6 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for significantly intense reflections	0.119
Weighted residual factors for significantly intense reflections	0.141
Goodness-of-fit parameter for significantly intense reflections	3.39
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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