Crystallography Open Database

Information card for entry 4113121

Preview

Coordinates	4113121.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Compound DL121
Formula	C24 H66 K2 N4 O52 W12
Calculated formula	C24 H66 K2 N4 O52 W12
Title of publication	A High-Nuclearity "Celtic-Ring" Isopolyoxotungstate, [H12W36O120]12-, That Captures Trace Potassium Ions
Authors of publication	De-Liang Long; Hamera Abbas; Paul Kögerler; Leroy Cronin
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	13880 - 13881
a	17.2213 ± 0.0005 Å
b	17.2213 ± 0.0005 Å
c	10.7164 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	3178.2 ± 0.18 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	82
Hermann-Mauguin space group symbol	I -4
Hall space group symbol	I -4
Residual factor for all reflections	0.0252
Residual factor for significantly intense reflections	0.0222
Weighted residual factors for significantly intense reflections	0.0425
Weighted residual factors for all reflections included in the refinement	0.0432
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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