Crystallography Open Database

Information card for entry 7235277

Preview

Coordinates	7235277.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	35a
Chemical name	35a
Formula	C9 H6 S6
Calculated formula	C9 H6 S6
Title of publication	Straightforward access to aryl-substituted/fused 1,3-dithiole-2-chalcogenones by Cu-catalyzed C‒S coupling between aryl iodides and zinc‒thiolate complex (TBA)2[Zn(DMIT)2]
Authors of publication	Sun, Jibin; Lu, Xiaofeng; Shao, Jiafeng; Cui, Zili; Shao, Yu; Jiang, Guiyang; Yu, Wei; Shao, Xiangfeng
Journal of publication	RSC Advances
Year of publication	2013
Journal volume	3
Journal issue	26
Pages of publication	10193
a	11.411 ± 0.003 Å
b	11.385 ± 0.0017 Å
c	19.507 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2534.2 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0586
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.0814
Weighted residual factors for all reflections included in the refinement	0.1085
Goodness-of-fit parameter for all reflections included in the refinement	1.095
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
232644 (current)	2019-11-23	cif/ Adding structures of 7235274, 7235275, 7235276, 7235277 via cif-deposit CGI script.	7235277.cif