Crystallography Open Database

Information card for entry 4108648

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Coordinates	4108648.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H60 K19 O164 P3 W39
Calculated formula	K18.5 O161.3 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	20.5411 ± 0.0009 Å
b	21.1805 ± 0.0011 Å
c	22.446 ± 0.0007 Å
α	69.588 ± 0.004°
β	79.143 ± 0.003°
γ	67.42 ± 0.004°
Cell volume	8434.1 ± 0.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.083
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.0913
Weighted residual factors for all reflections included in the refinement	0.0992
Goodness-of-fit parameter for all reflections included in the refinement	0.907
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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