Crystallography Open Database

Information card for entry 7244318

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Coordinates	7244318.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H90 N26 O32
Calculated formula	C55 H90 N26 O32
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	15.006 ± 0.0013 Å
b	20.6811 ± 0.0016 Å
c	22.944 ± 0.002 Å
α	90°
β	99.494 ± 0.004°
γ	90°
Cell volume	7022.9 ± 1 Å³
Cell temperature	292.52 K
Ambient diffraction temperature	292.52 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0884
Residual factor for significantly intense reflections	0.0556
Weighted residual factors for significantly intense reflections	0.1337
Weighted residual factors for all reflections included in the refinement	0.1561
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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