Crystallography Open Database

Information card for entry 4103385

Preview

Coordinates	4103385.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C236 H616 N104 Ni54 O434 P8 W72
Calculated formula	C236 H387.96 N104 Ni54 O434 P8 W72
Title of publication	cubic Polyoxometalate-Organic Molecular Cage
Authors of publication	Shou-Tian Zheng; Jie Zhang; Xin-Xiong Li; Wei-Hui Fang; Guo-Yu Yang
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	15102 - 15103
a	33.915 ± 0.005 Å
b	33.915 ± 0.005 Å
c	59.795 ± 0.008 Å
α	90°
β	90°
γ	120°
Cell volume	59563 ± 15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1175
Residual factor for significantly intense reflections	0.0959
Weighted residual factors for significantly intense reflections	0.2131
Weighted residual factors for all reflections included in the refinement	0.2297
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4103385.html