Crystallography Open Database

Information card for entry 4321060

Preview

Coordinates	4321060.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[WS2(OSiPh3)2(Me4phen)]
Formula	C52 H46 N2 O2 S2 Si2 W
Calculated formula	C52 H44 N2 O2 S2 Si2 W
SMILES	O([W]1(=S)([n]2cc(c(c3c2c2c(c(c(c[n]12)C)C)cc3)C)C)(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)=S)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Oxo/Sulfidotungstate(VI) as Precursors to WVIO2, WVIOS, and WVIS2 Complexes and WIV-Dithiolene Chelate Rings
Authors of publication	Mingming Miao; Michael W. Willer; R. H. Holm
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	2843 - 2849
a	16.9351 ± 0.0001 Å
b	10.4963 ± 0.0001 Å
c	26.8896 ± 0.0002 Å
α	90°
β	104.517 ± 0.001°
γ	90°
Cell volume	4627.18 ± 0.07 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0373
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0789
Weighted residual factors for all reflections included in the refinement	0.082
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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
179313 (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 4/32/10.	4321060.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321060.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321060.cif
18407	2011-04-29	../uploads/cif-deposit/cod/cif Adding structures of 4321060 via cif-deposit CGI script.	4321060.cif