Crystallography Open Database

Information card for entry 2000728

2000727 << 2000728 >> 2000729

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Original IUCr paper	HTML

Structure parameters

Chemical name	Di[3,4;3',4'-bis(ethylenedithio)-2,2',5,5'-tetrathiafulvalenium] Dicyanamide
Formula	C22 H16 N3 S16
Calculated formula	C22 H16 N3 S16
Title of publication	Structure of (BEDT-TTF)~2~N(CN)~2~
Authors of publication	Bu, X.; Coppens, P.; Lederle, B.; Naughton, M. J.
Journal of publication	Acta Crystallographica Section C
Year of publication	1992
Journal volume	48
Journal issue	8
Pages of publication	1560 - 1561
a	14.744 ± 0.001 Å
b	6.676 ± 0.002 Å
c	32.151 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3164.7 ± 1 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	54
Hermann-Mauguin space group symbol	P c c a
Hall space group symbol	-P 2a 2ac
Residual factor for significantly intense reflections	0.077
Weighted residual factors for significantly intense reflections	0.125
Goodness-of-fit parameter for significantly intense reflections	5.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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