Crystallography Open Database

Information card for entry 7058448

Preview

Coordinates	7058448.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H119 Mo12 N24 O104 P
Calculated formula	C36 H36 Mo12 N24 O65.2 P
Title of publication	Porous supramolecular assemblies and functional properties of perhydroxylated cucurbit[6]uril and polyoxometallates
Authors of publication	Xia, Xi; Ge, Wei Wei; Chen, Haiyong; Tao, Zhu; Zhang, Yunqian; Wei, Gang; Chen, Kai
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	26
Pages of publication	10297
a	18.0014 ± 0.0011 Å
b	18.0014 ± 0.0011 Å
c	29.4043 ± 0.0018 Å
α	90°
β	90°
γ	120°
Cell volume	8251.9 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
Residual factor for all reflections	0.0995
Residual factor for significantly intense reflections	0.0843
Weighted residual factors for significantly intense reflections	0.1915
Weighted residual factors for all reflections included in the refinement	0.1984
Goodness-of-fit parameter for all reflections included in the refinement	1.261
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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