Crystallography Open Database

Information card for entry 4128893

Preview

Coordinates	4128893.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H183 Mo2 N5 O60 Te W16
Calculated formula	C23.175 Mo1.9998 N2.475 O60 Te W16.0002
Title of publication	Anisotropic Polyoxometalate Cages Assembled via Layers of Heteroanion Templates.
Authors of publication	Zheng, Qi; Kupper, Manuel; Xuan, Weimin; Oki, Hirofumi; Tsunashima, Ryo; Long, De-Liang; Cronin, Leroy
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	34
Pages of publication	13479 - 13486
a	44.713 ± 0.003 Å
b	44.713 ± 0.003 Å
c	47.217 ± 0.005 Å
α	90°
β	90°
γ	120°
Cell volume	81752 ± 12 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.143
Residual factor for significantly intense reflections	0.0772
Weighted residual factors for significantly intense reflections	0.2088
Weighted residual factors for all reflections included in the refinement	0.2747
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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