Crystallography Open Database

Information card for entry 4345524

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Coordinates	4345524.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H34 N13 O17 S U
Calculated formula	C27 H34 N13 O17 S U
Title of publication	Mixed-Ligand Uranyl Polyrotaxanes Incorporating a Sulfate/Oxalate Coligand: Achieving Structural Diversity via pH-Dependent Competitive Effect
Authors of publication	Xie, Zhen-ni; Mei, Lei; Hu, Kong-qiu; Xia, Liang-shu; Chai, Zhi-fang; Shi, Wei-qun
Journal of publication	Inorganic Chemistry
Year of publication	2017
a	14.1824 ± 0.0002 Å
b	21.4688 ± 0.0002 Å
c	12.25055 ± 0.00017 Å
α	90°
β	110.65 ± 0.0016°
γ	90°
Cell volume	3490.39 ± 0.08 Å³
Cell temperature	296.44 ± 0.1 K
Ambient diffraction temperature	296.44 ± 0.1 K
Number of distinct elements	6
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	0.0407
Residual factor for significantly intense reflections	0.0264
Weighted residual factors for significantly intense reflections	0.0576
Weighted residual factors for all reflections included in the refinement	0.0642
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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