Crystallography Open Database

Information card for entry 7210973

Preview

Coordinates	7210973.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H24 Cu4 I2 N4 S4 W
Calculated formula	C24 H24 Cu4 I2 N4 S4 W
Title of publication	The synthesis, structure and third-order nonlinear optical effect of a new 2D cluster polymer based on a [WS4Cu4]2+ SBU and 1,2-di(pyridin-4-yl)ethane
Authors of publication	Zhang, Ming-Dao; Qin, Ling; Yao, Xiao-Qiang; Yang, Qing-Xiang; Guo, Zi-Jian; Zheng, He-Gen
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	36
Pages of publication	7354
a	9.3967 ± 0.0003 Å
b	9.3967 ± 0.0003 Å
c	32.3703 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	2858.2 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	86
Hermann-Mauguin space group symbol	P 42/n :2
Hall space group symbol	-P 4bc
Residual factor for all reflections	0.0345
Residual factor for significantly intense reflections	0.0323
Weighted residual factors for significantly intense reflections	0.1202
Weighted residual factors for all reflections included in the refinement	0.1217
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
180440 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/09.	7210973.cif
90166	2013-11-17	cif/ Adding structures of 7210973 via cif-deposit CGI script.	7210973.cif