Crystallography Open Database

Information card for entry 7014893

Preview

Coordinates	7014893.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H74 Mn4 O105 V2 W19 Zn3
Calculated formula	Mn4 O105 V2 W19 Zn3
Title of publication	The synergistic effect of [WZn(VO)2(ZnW9O34)2]12- cores and peripheral metal sites in catalytic oxidative cyclization of acetylacetone.
Authors of publication	Shi, Lian-Xu; Zhang, Xian-Wei; Wu, Chuan-De
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	4
Pages of publication	779 - 781
a	12.5382 ± 0.0003 Å
b	13.9382 ± 0.0004 Å
c	16.7244 ± 0.0005 Å
α	84.004 ± 0.002°
β	73.969 ± 0.002°
γ	63.604 ± 0.003°
Cell volume	2515.66 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1143
Residual factor for significantly intense reflections	0.0967
Weighted residual factors for significantly intense reflections	0.2451
Weighted residual factors for all reflections included in the refinement	0.2512
Goodness-of-fit parameter for all reflections included in the refinement	1.332
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
179852 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/48.	7014893.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7014893.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7014893.cif
14877	2011-03-11	../uploads/cif-deposit/cod/cif Adding structures of 7014891, 7014892, 7014893, 7014894, 7014895 via cif-deposit CGI script.	7014893.cif