Crystallography Open Database

Information card for entry 4001531

Preview

Coordinates	4001531.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H102 P6 S32 W6
Calculated formula	C83.96 H96 P6 S32 W6
Title of publication	W6S8Inorganic Clusters with Organic TTF Derivative Ligands: in Pursuit of Multidimensional Conductive Networks
Authors of publication	Yuan, Min; Ülgüt, Burak; McGuire, Michael; Takada, Kazutake; DiSalvo, Francis J.; Lee, Stephen; Abruña, Héctor
Journal of publication	Chemistry of Materials
Year of publication	2006
Journal volume	18
Journal issue	18
Pages of publication	4296
a	23.659 ± 0.003 Å
b	23.659 ± 0.002 Å
c	16.9604 ± 0.0018 Å
α	90 ± 0.003°
β	90 ± 0.003°
γ	120 ± 0.003°
Cell volume	8221.7 ± 1.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0588
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.0879
Weighted residual factors for all reflections included in the refinement	0.0969
Goodness-of-fit parameter for all reflections included in the refinement	1.12
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
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4001531.cif
120073	2014-07-11	Adding DOIs to range 4/00 structures.	4001531.cif
47600	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4001531 via cif-deposit CGI script.	4001531.cif