Crystallography Open Database

Information card for entry 7112137

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Coordinates	7112137.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H62 N26 O20 U
Calculated formula	C56 H62 N26 O20 U
Title of publication	The first case of an actinide polyrotaxane incorporating cucurbituril: a unique 'dragon-like' twist induced by a specific coordination pattern of uranium
Authors of publication	Lei Mei; Qun-yan Wu; Cai-ming Liu; Yu-liang Zhao; Zhi-fang Chai; Wei-qun Shi
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	3612
a	12.887 ± 0.003 Å
b	19.363 ± 0.004 Å
c	25.334 ± 0.008 Å
α	90°
β	115.53 ± 0.03°
γ	90°
Cell volume	5704 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.169
Residual factor for significantly intense reflections	0.1178
Weighted residual factors for significantly intense reflections	0.3172
Weighted residual factors for all reflections included in the refinement	0.3433
Goodness-of-fit parameter for all reflections included in the refinement	1.111
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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