Crystallography Open Database

Information card for entry 7244323

Preview

Coordinates	7244323.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H62 Br0.27 N27.74 O29.21 U2
Calculated formula	C55 H62 Br0.265 N27.735 O29.205 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	18.3214 ± 0.0007 Å
b	17.8962 ± 0.0007 Å
c	22.4009 ± 0.0009 Å
α	90°
β	113.982 ± 0.003°
γ	90°
Cell volume	6710.8 ± 0.5 Å³
Cell temperature	292.36 K
Ambient diffraction temperature	292.36 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0395
Residual factor for significantly intense reflections	0.027
Weighted residual factors for significantly intense reflections	0.0578
Weighted residual factors for all reflections included in the refinement	0.0626
Goodness-of-fit parameter for all reflections included in the refinement	1.0459
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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