Crystallography Open Database

Information card for entry 7244320

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Coordinates	7244320.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H69 N26 O40 S2 U2
Calculated formula	C54 H69 N26 O40 S2 U2
Title of publication	Impact of the proximity effect on uranyl coordination of conformationally variable weakly-bonded cucurbit[6]uril-bipyridinium pseudorotaxane
Authors of publication	Li, Feize; Mei, Lei; Peng, Haiyue; Hu, Kongqiu; Chai, Zhifang; Liu, Ning
Journal of publication	CrystEngComm
Year of publication	2022
Journal volume	24
Journal issue	10
Pages of publication	1955 - 1965
a	12.4914 ± 0.0007 Å
b	13.5836 ± 0.0007 Å
c	13.6906 ± 0.0006 Å
α	105.65 ± 0.002°
β	95.32 ± 0.002°
γ	113.732 ± 0.002°
Cell volume	1993.62 ± 0.18 Å³
Cell temperature	292.26 K
Ambient diffraction temperature	292.26 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0609
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.1267
Weighted residual factors for all reflections included in the refinement	0.1387
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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