Crystallography Open Database

Information card for entry 4117333

Preview

Coordinates	4117333.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	As4 H214 Li10 Mo12 O246 Rb14 S12 W36
Calculated formula	As4 Mo12 O183.4 Rb9.9 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	47.4379 ± 0.001 Å
b	18.6347 ± 0.0003 Å
c	36.2086 ± 0.0007 Å
α	90°
β	127.567 ± 0.001°
γ	90°
Cell volume	25370.9 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1008
Residual factor for significantly intense reflections	0.0588
Weighted residual factors for significantly intense reflections	0.1731
Weighted residual factors for all reflections included in the refinement	0.2178
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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.	4117333.cif
74409	2013-02-27	cif/ Adding structures of 4117333 via cif-deposit CGI script.	4117333.cif