Crystallography Open Database

Information card for entry 4117335

Preview

Coordinates	4117335.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	As2 Cs9 H74 Li3 Mo6 O109 S6 W18
Calculated formula	As2 Cs7 Li1.5 Mo6 O79.5 S6 W18
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	22.818 ± 0.003 Å
b	22.818 ± 0.003 Å
c	21.265 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	9589 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	8
Space group number	189
Hermann-Mauguin space group symbol	P -6 2 m
Hall space group symbol	P -6 -2
Residual factor for all reflections	0.0939
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for significantly intense reflections	0.1399
Weighted residual factors for all reflections included in the refinement	0.2021
Goodness-of-fit parameter for all reflections included in the refinement	1.27
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.	4117335.cif
74411	2013-02-27	cif/ Adding structures of 4117335 via cif-deposit CGI script.	4117335.cif