Crystallography Open Database

Information card for entry 4122501

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Coordinates	4122501.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Fe3 H61 K10 O98 Si2 W18
Calculated formula	Fe3 K10 O98 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	12.5311 ± 0.0007 Å
b	18.5287 ± 0.0011 Å
c	20.3263 ± 0.0013 Å
α	76.707 ± 0.002°
β	84.117 ± 0.002°
γ	74.896 ± 0.002°
Cell volume	4429.8 ± 0.5 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	0.024
Residual factor for significantly intense reflections	0.021
Weighted residual factors for significantly intense reflections	0.049
Weighted residual factors for all reflections included in the refinement	0.05
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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