Crystallography Open Database

Information card for entry 4325051

Preview

Coordinates	4325051.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H74 B2 Cl5 Cu6 N13 O S6 W2
Calculated formula	C42 H74 B2 Cl5 Cu6 N13 O 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	21.152 ± 0.004 Å
b	24.156 ± 0.005 Å
c	15.478 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	7908 ± 3 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	9
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0565
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.1356
Weighted residual factors for all reflections included in the refinement	0.1399
Goodness-of-fit parameter for all reflections included in the refinement	1.184
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4325051.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325051.cif
43503	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4325051 via cif-deposit CGI script.	4325051.cif