Crystallography Open Database

Information card for entry 4117334

Preview

Coordinates	4117334.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	As4 Cs15 H128 Li9 Mo12 O208 S12 W36
Calculated formula	As4 Cs12.9 Mo12 O165 S12 W36
Title of publication	Polyoxometalates Paneling through {Mo~2~O~2~S~2~} Coordination: Cation-Directed Conformations and Chemistry of a Supramolecular Hexameric Scaffold
Authors of publication	Jérôme Marrot; Marie Anne Pilette; Mohamed Haouas; Sébastien Floquet; Francis Taulelle; Xavier López; Josep M. Poblet; Emmanuel Cadot
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	1724 - 1737
a	47.2304 ± 0.0005 Å
b	18.6529 ± 0.0003 Å
c	36.3782 ± 0.0001 Å
α	90°
β	126.753 ± 0.001°
γ	90°
Cell volume	25678.1 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
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	0.1091
Residual factor for significantly intense reflections	0.059
Weighted residual factors for significantly intense reflections	0.1605
Weighted residual factors for all reflections included in the refinement	0.1797
Goodness-of-fit parameter for all reflections included in the refinement	0.939
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
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.	4117334.cif
74410	2013-02-27	cif/ Adding structures of 4117334 via cif-deposit CGI script.	4117334.cif