Crystallography Open Database

Information card for entry 4321059

Preview

Coordinates	4321059.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[WOS(OSiPh3)2(Me4phen)
Formula	C52 H46 N2 O3 S Si2 W
Calculated formula	C52 H46 N2 O3 S Si2 W
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	16.7097 ± 0.0015 Å
b	10.3575 ± 0.0006 Å
c	27.002 ± 0.003 Å
α	90°
β	103.518 ± 0.009°
γ	90°
Cell volume	4543.8 ± 0.7 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	0.0334
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.076
Weighted residual factors for all reflections included in the refinement	0.0772
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
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.	4321059.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321059.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321059.cif
18406	2011-04-29	../uploads/cif-deposit/cod/cif Adding structures of 4321059 via cif-deposit CGI script.	4321059.cif