Crystallography Open Database

Information card for entry 4339825

Preview

Coordinates	4339825.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	As2 Mn O86.5 Rb8 W20
Calculated formula	As2 Mn0.99 O86.49 Rb8.01 W19.98
Title of publication	The highest D value for a Mn(II) ion: investigation of a manganese(II) polyoxometalate complex by high-field electron paramagnetic resonance.
Authors of publication	Pichon, Céline; Mialane, Pierre; Rivière, Eric; Blain, Guillaume; Dolbecq, Anne; Marrot, Jérôme; Sécheresse, Francis; Duboc, Carole
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	19
Pages of publication	7710 - 7712
a	20.0238 ± 0.0001 Å
b	20.0238 ± 0.0001 Å
c	32.8668 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	11412.5 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0986
Residual factor for significantly intense reflections	0.0735
Weighted residual factors for significantly intense reflections	0.1768
Weighted residual factors for all reflections included in the refinement	0.1898
Goodness-of-fit parameter for all reflections included in the refinement	1.181
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.	4339825.cif
117564	2014-06-15	cif/ Adding structures of 4339825 via cif-deposit CGI script.	4339825.cif