Crystallography Open Database

Information card for entry 4122502

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Coordinates	4122502.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Fe11 H100 K13 O189 Si4 W36
Calculated formula	Fe11 K12.44 O187 Si4 W36
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	12.382 ± 0.0005 Å
b	19.411 ± 0.0008 Å
c	22.2451 ± 0.0009 Å
α	114.182 ± 0.002°
β	95.372 ± 0.002°
γ	93.305 ± 0.002°
Cell volume	4828.8 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0459
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0794
Weighted residual factors for all reflections included in the refinement	0.0855
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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