Crystallography Open Database

Information card for entry 4325049

Preview

Coordinates	4325049.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H51 B2 Br4 Cl8 Cu6 N13 S6 W2
Calculated formula	C35 H50 B2 Br4 Cl8 Cu6 N13 S6 W2
Title of publication	Construction of Halide-Bridged Tungsten-Copper-Sulfide Double Cubanelike Clusters from a New Precursor [(Tp*WS2)2(μ-S2)]
Authors of publication	Li-Pei Wei; Zhi-Gang Ren; Lian-Wen Zhu; Wen-Yan Yan; Sha Sun; Hui-Fang Wang; Jian-Ping Lang; Zhen-Rong Sun
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	4493 - 4502
a	11.557 ± 0.002 Å
b	13.558 ± 0.003 Å
c	22.986 ± 0.005 Å
α	94.37 ± 0.03°
β	103.9 ± 0.03°
γ	111.54 ± 0.03°
Cell volume	3197.7 ± 1.5 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0682
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.1152
Weighted residual factors for all reflections included in the refinement	0.1239
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
179353 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/50.	4325049.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325049.cif
43501	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4325049 via cif-deposit CGI script.	4325049.cif