Crystallography Open Database

Information card for entry 4108649

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Coordinates	4108649.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H60 K19 O164 P3 W39
Calculated formula	K18.75 O162.5 P3 W39
Title of publication	"Bottom-Up" Meets "Top-Down" Assembly in Nanoscale Polyoxometalate Clusters: Self-Assembly of [P4W52O178]24- and Disassembly to [P3W39O134]19-
Authors of publication	Chullikkattil P. Pradeep; De-Liang Long; Carsten Streb; Leroy Cronin
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	14946 - 14947
a	26.0197 ± 0.0004 Å
b	34.9666 ± 0.0007 Å
c	44.9034 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	40854 ± 1.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1346
Residual factor for significantly intense reflections	0.0705
Weighted residual factors for significantly intense reflections	0.1307
Weighted residual factors for all reflections included in the refinement	0.145
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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