Crystallography Open Database

Information card for entry 7035576

Preview

Coordinates	7035576.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C H92 K9 Mn6 O156 Si3 W30
Calculated formula	C K9 Mn6 O157.5 Si3 W30
Title of publication	A CO3(2-)-containing, dimanganese-substituted silicotungstate trimer, K9[H14{SiW10Mn(II)Mn(III)O38}3(CO3)]·39H2O.
Authors of publication	Yang, Ling; Liu, Qisen; Ma, Pengtao; Niu, Jingyang; Wang, Jingping
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	30
Pages of publication	13469 - 13472
a	30.13 ± 0.003 Å
b	30.13 ± 0.003 Å
c	13.5343 ± 0.0016 Å
α	90°
β	90°
γ	120°
Cell volume	10641 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	160
Hermann-Mauguin space group symbol	R 3 m :H
Hall space group symbol	R 3 -2"
Residual factor for all reflections	0.0382
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0811
Weighted residual factors for all reflections included in the refinement	0.083
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7035576.cif
153153	2015-08-08	cif/ Updating files of 7035576 Original log message: Adding full bibliography for 7035576.cif.	7035576.cif
139714	2015-06-27	cif/ Adding structures of 7035576 via cif-deposit CGI script.	7035576.cif