Crystallography Open Database

Information card for entry 2000727

2000726 << 2000727 >> 2000728

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Coordinates	Coordinates are not available: file is not found.
Original IUCr paper	HTML

Structure parameters

Chemical name	δ-[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 δ-(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	1558 - 1560
a	6.4253 ± 0.0006 Å
b	10.7241 ± 0.0008 Å
c	13.049 ± 0.001 Å
α	84.084 ± 0.006°
β	82.435 ± 0.007°
γ	87.378 ± 0.007°
Cell volume	886.1 ± 0.13 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 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	0.042
Weighted residual factors for significantly intense reflections	0.054
Goodness-of-fit parameter for significantly intense reflections	2.55
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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