Crystallography Open Database

Information card for entry 4119260

4119259 << 4119260 >> 4119261

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Coordinates	4119260.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H226 K26 O314 Se4 W60
Calculated formula	K16.4 O277.3 Se4 W60
Title of publication	One-Pot versus Sequential Reactions in the Self-Assembly of Gigantic Nanoscale Polyoxotungstates
Authors of publication	Jing Gao; Jun Yan; Sebastian Beeg; De-Liang Long; Leroy Cronin
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	1796 - 1805
a	26.7648 ± 0.001 Å
b	35.311 ± 0.0016 Å
c	32.0625 ± 0.0012 Å
α	90°
β	102.325 ± 0.002°
γ	90°
Cell volume	29604 ± 2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0629
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.0935
Weighted residual factors for all reflections included in the refinement	0.1068
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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