Crystallography Open Database

Information card for entry 7102210

Preview

Coordinates	7102210.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Fe12 H158 K22 Na8 O312 P8 W60
Calculated formula	Fe12 K22 Na8 O312 P8 W60
Title of publication	Controlled assembly and solution observation of a 2.6 nm polyoxometalate "super" tetrahedron cluster: [KFe12(OH)18(α-1,2,3-P2W15O56)4]29‒
Authors of publication	Pradeep, Chullikkattil P.; Long, De-Liang; Kögerler, Paul; Cronin, Leroy
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2007
Journal issue	41
Pages of publication	4254 - 4256
a	47.8099 ± 0.0015 Å
b	30.624 ± 0.0015 Å
c	29.8033 ± 0.0011 Å
α	90°
β	122.929 ± 0.002°
γ	90°
Cell volume	36626 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.088
Residual factor for significantly intense reflections	0.0477
Weighted residual factors for significantly intense reflections	0.1041
Weighted residual factors for all reflections included in the refinement	0.1245
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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