Crystallography Open Database

Information card for entry 4068382

Preview

Coordinates	4068382.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C129 H100 Cl10 O12 P4 Ru4 S4 W4
Calculated formula	C129 H100 Cl10 O12 P4 Ru4 S4 W4
Title of publication	Synthesis and Characterization of Single Thiolato-Bridged Heterodinuclear Complexes: Irreversible Isomerization of Cp(CO)2W(μ-SPh)(μ-Cl)Ru(CO)(Cl)(PPh3) to Cp(CO)(Cl)W(μ-SPh)(μ-Cl)Ru(CO)2(PPh3) via Chloride and Carbonyl Ligand Migration
Authors of publication	Hossain, Md. Munkir; Lin, Hsiu-Mei; Wang, Chih-Min; Shyu, Shin-Guang
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	1
Pages of publication	264
a	23.1341 ± 0.0007 Å
b	14.8948 ± 0.0004 Å
c	18.7904 ± 0.0005 Å
α	90°
β	103.829 ± 0.001°
γ	90°
Cell volume	6287.1 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0579
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.0747
Weighted residual factors for all reflections included in the refinement	0.0833
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation probe	x-ray
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
178573 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/83.	4068382.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068382.cif
39699	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068382 via cif-deposit CGI script.	4068382.cif