Crystallography Open Database

Information card for entry 4122497

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Coordinates	4122497.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Fe3 H65 K10 O99 Si2 W18
Calculated formula	Fe3.027 K10.3 O95.9 Si2 W17.973
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	12.1221 ± 0.0003 Å
b	18.9912 ± 0.0004 Å
c	20.5152 ± 0.0003 Å
α	108.304 ± 0.002°
β	96.657 ± 0.002°
γ	95.751 ± 0.002°
Cell volume	4406.7 ± 0.17 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	0.0652
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.0907
Weighted residual factors for all reflections included in the refinement	0.0994
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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