Crystallography Open Database

Information card for entry 4116390

Preview

Coordinates	4116390.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	keggin
Formula	Al K5 O57 W12
Calculated formula	Al K5 O57 W12
Title of publication	Equilibria between α and β Isomers of Keggin Heteropolytungstates
Authors of publication	Ira A. Weinstock; Jennifer J. Cowan; Elena M. G. Barbuzzi; Huadong Zeng; Craig L. Hill
Journal of publication	Journal of the American Chemical Society
Year of publication	1999
Journal volume	121
Pages of publication	4608 - 4617
a	19.072 ± 0.0001 Å
b	19.072 ± 0.0001 Å
c	12.5658 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	3958.34 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
Space group number	180
Hermann-Mauguin space group symbol	P 62 2 2
Hall space group symbol	P 62 2 (0 0 4)
Residual factor for all reflections	0.0503
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for all reflections	0.0745
Weighted residual factors for all reflections included in the refinement	0.07
Goodness-of-fit parameter for all reflections	1.016
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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