Crystallography Open Database

Information card for entry 2224069

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Structure parameters

Chemical name	Tris(tetraethylammonium) hydrogen bis[2-(sulfatosulfanyl)benzoate]
Formula	C38 H69 N3 O10 S4
Calculated formula	C38 H69 N3 O10 S4
Title of publication	Tris(tetraethylammonium) hydrogen bis[2-(sulfatosulfanyl)benzoate]
Authors of publication	Yang, Yun-Xia; Li, Qi; Ng, Seik Weng
Journal of publication	Acta Crystallographica Section E
Year of publication	2009
Journal volume	65
Journal issue	11
Pages of publication	o2768
a	7.9774 ± 0.0001 Å
b	9.2439 ± 0.0001 Å
c	17.0074 ± 0.0003 Å
α	90.649 ± 0.001°
β	93.845 ± 0.001°
γ	114.678 ± 0.001°
Cell volume	1135.98 ± 0.03 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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 all reflections	0.0729
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.1674
Weighted residual factors for all reflections included in the refinement	0.1814
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

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