Crystallography Open Database

Information card for entry 2007243

2007242 << 2007243 >> 2007244

Preview

Coordinates	2007243.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	1,2-Bis(5-methyl-4-methylthio-1,3-dithiolium-2-ylidene)-1,2-diphenylethane Triiodide
Formula	C24 H22 I6 S6
Calculated formula	C24 H22 I6 S6
SMILES	C1(SC(=C(C)S1)SC)=C(C(=C1SC(=C(C)S1)SC)c1ccccc1)c1ccccc1.[I-](I)I.[I-](I)I
Title of publication	1,2-Bis(5-methyl-4-methylthio-1,3-dithiolium-2-ylidene)-1,2-diphenylethane Bis(triiodide) and 1,2-Bis(4-methoxyphenyl)-1,2-bis(5-methyl-4-methylthio-1,3-dithiolium-2-ylidene)ethane Diperchlorate
Authors of publication	Rimbaud, Christian; Le Magueres, Pierre; Ouahab, Lahcene; Lorcy, Dominique; Robert, Albert
Journal of publication	Acta Crystallographica Section C
Year of publication	1998
Journal volume	54
Journal issue	5
Pages of publication	679 - 681
a	7.655 ± 0.002 Å
b	10.867 ± 0.002 Å
c	12.082 ± 0.002 Å
α	103.44 ± 0.02°
β	102.75 ± 0.02°
γ	105.89 ± 0.02°
Cell volume	895.7 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1005
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for all reflections	0.1007
Weighted residual factors for significantly intense reflections	0.0819
Goodness-of-fit parameter for all reflections	1.006
Goodness-of-fit parameter for significantly intense reflections	1.087
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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