Crystallography Open Database

Information card for entry 7058450

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Coordinates	7058450.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H77 Cl3 N24 O43
Calculated formula	C36 H36 Cl3 N24 O24
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	22.317 ± 0.003 Å
b	22.317 ± 0.003 Å
c	22.272 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	9606 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0763
Residual factor for significantly intense reflections	0.0637
Weighted residual factors for significantly intense reflections	0.2093
Weighted residual factors for all reflections included in the refinement	0.2292
Goodness-of-fit parameter for all reflections included in the refinement	1.286
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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