Crystallography Open Database

Information card for entry 4325046

Preview

Coordinates	4325046.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H79 B2 Br5 Cu6 N13 O1.5 S6 W2
Calculated formula	C44 H79 B2 Br5 Cu6 N13 O1.5 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	21.702 ± 0.004 Å
b	24.328 ± 0.005 Å
c	15.58 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	8226 ± 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	0.0579
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1312
Weighted residual factors for all reflections included in the refinement	0.1376
Goodness-of-fit parameter for all reflections included in the refinement	1.162
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4325046.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325046.cif
43498	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4325046 via cif-deposit CGI script.	4325046.cif