Crystallography Open Database

Information card for entry 7014895

Preview

Coordinates	7014895.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H98 K2 Ni4 O118 V2 W19 Zn3
Calculated formula	K2 Ni4 O118 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	32.1482 ± 0.0009 Å
b	14.5862 ± 0.0004 Å
c	21.7639 ± 0.0006 Å
α	90°
β	96.069 ± 0.002°
γ	90°
Cell volume	10148.3 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.0794
Residual factor for significantly intense reflections	0.0649
Weighted residual factors for significantly intense reflections	0.1604
Weighted residual factors for all reflections included in the refinement	0.1646
Goodness-of-fit parameter for all reflections included in the refinement	1.15
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.	7014895.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7014895.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7014895.cif
14877	2011-03-11	../uploads/cif-deposit/cod/cif Adding structures of 7014891, 7014892, 7014893, 7014894, 7014895 via cif-deposit CGI script.	7014895.cif