Crystallography Open Database

Information card for entry 4128902

Preview

Coordinates	4128902.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H291 Mo4 N30 Na O251 Se7 W62
Calculated formula	C27.4 Mo3.999 N14.1 Na O251 Se7 W62.001
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	17.7735 ± 0.0013 Å
b	20.1721 ± 0.0014 Å
c	22.3319 ± 0.0016 Å
α	99.133 ± 0.004°
β	102.654 ± 0.004°
γ	96.166 ± 0.004°
Cell volume	7628.6 ± 1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0903
Residual factor for significantly intense reflections	0.0569
Weighted residual factors for significantly intense reflections	0.1465
Weighted residual factors for all reflections included in the refinement	0.1755
Goodness-of-fit parameter for all reflections included in the refinement	1.095
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
221938 (current)	2019-11-03	cif/ Adding structures of 4128902 via cif-deposit CGI script.	4128902.cif