Crystallography Open Database

Information card for entry 4122499

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Coordinates	4122499.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Fe3 H95 K8 O114 Si2 W18
Calculated formula	Fe3 K7.8 O87.6 Si2 W18
Title of publication	Controlling the minimal self assembly of "complex" polyoxometalate clusters.
Authors of publication	Winter, Ross S.; Cameron, Jamie M.; Cronin, Leroy
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	36
Pages of publication	12753 - 12761
a	11.2309 ± 0.0003 Å
b	21.0954 ± 0.0006 Å
c	17.965 ± 0.0006 Å
α	90°
β	105.02 ± 0.003°
γ	90°
Cell volume	4110.9 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.067
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.102
Weighted residual factors for all reflections included in the refinement	0.113
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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