Crystallography Open Database

Information card for entry 4112786

Preview

Coordinates	4112786.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H47 Mo10 O47.5 P3 Rb3 S10
Calculated formula	Mo10 O45.38 P3 Rb3.00333 S10
Title of publication	Polyphosphate Ions Encapsulated in Oxothiomolybdate Rings: Synthesis, Structure, and Behavior in Solution
Authors of publication	Emmanuel Cadot; Marie-José Pouet; Chantal Robert-Labarre; Charlotte du Peloux; Jérôme Marrot; Francis Sécheresse
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	9127 - 9134
a	23.2344 ± 0.0002 Å
b	23.2344 ± 0.0002 Å
c	20.7222 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	9687.89 ± 0.18 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.058
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.1092
Weighted residual factors for all reflections included in the refinement	0.1263
Goodness-of-fit parameter for all reflections included in the refinement	1.155
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.	4112786.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112786.cif
65199	2012-09-05	cif/ Adding structures of 4112786 via cif-deposit CGI script.	4112786.cif