Crystallography Open Database

Information card for entry 2000731

2000730 << 2000731 >> 2000732

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

Structure parameters

Formula	C40 H32 Hg2 I14 S32
Calculated formula	C40 H32 Hg2 I14 S32
Title of publication	Structure of (BEDT-TTF)~4~Hg~2~I~6~(I~8~)
Authors of publication	Bu, X.; Coppens, P.
Journal of publication	Acta Crystallographica Section C
Year of publication	1992
Journal volume	48
Journal issue	8
Pages of publication	1565 - 1566
a	8.892 ± 0.001 Å
b	15.627 ± 0.002 Å
c	17.84 ± 0.002 Å
α	66.169 ± 0.009°
β	79.791 ± 0.009°
γ	85.81 ± 0.009°
Cell volume	2231.7 ± 0.5 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	0.07
Weighted residual factors for significantly intense reflections	0.089
Goodness-of-fit parameter for significantly intense reflections	3.77
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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