Crystallography Open Database

Information card for entry 4329569

Preview

Coordinates	4329569.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H35 K12 O86.5 P2 Pd W19
Calculated formula	K12 O86.5 P2 Pd W19
Title of publication	Revisiting the Polyoxometalate-Based Late-Transition-Metal-Oxo Complexes: The "Oxo Wall" Stands
Authors of publication	Kevin P. O'Halloran; Chongchao Zhao; Nicole S. Ando; Arthur J. Schultz; Thomas F. Koetzle; Paula M. B. Piccoli; Britt Hedman; Keith O. Hodgson; Elena Bobyr; Martin L. Kirk; Sushilla Knottenbelt; Ezra C. Depperman; Benjamin Stein; Travis M. Anderson; Rui Cao; Yurii V. Geletii; Kenneth I. Hardcastle; Djamaladdin G. Musaev; Wade A. Neiwert; Xikui Fang; Keiji Morokuma; Shaoxiong Wu; Paul Kögerler; Craig L. Hill
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	7025 - 7031
a	11.984 ± 0.002 Å
b	17.335 ± 0.004 Å
c	23.029 ± 0.005 Å
α	90.382 ± 0.003°
β	103.293 ± 0.003°
γ	108.724 ± 0.003°
Cell volume	4392.7 ± 1.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0759
Residual factor for significantly intense reflections	0.0547
Weighted residual factors for significantly intense reflections	0.1595
Weighted residual factors for all reflections included in the refinement	0.1754
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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.	4329569.cif
78626	2013-04-02	cif/ Adding structures of 4329569 via cif-deposit CGI script.	4329569.cif