Crystallography Open Database

Information card for entry 7228942

Preview

Coordinates	7228942.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H106 Cl3 N24 O41 Yb
Calculated formula	C44 H52 Cl3 N24 O22 Yb
Title of publication	Adducts of aqua complexes of Ln3+ with a di-hydroxylated symmetrical octamethyl-substituted cucurbituril: potential applications for isolation of heavier lanthanides
Authors of publication	Shen, Fang-Fang; Chen, Kai; Hua, Zi-Yi; Wang, Yuan; Xu, Jing; Chen, Mindong; Zhang, Yun-Qian; Tao, Zhu
Journal of publication	CrystEngComm
Year of publication	2017
a	22.245 ± 0.003 Å
b	12.3258 ± 0.0013 Å
c	14.7424 ± 0.0019 Å
α	90°
β	108.334 ± 0.004°
γ	90°
Cell volume	3837 ± 0.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0763
Residual factor for significantly intense reflections	0.0576
Weighted residual factors for significantly intense reflections	0.133
Weighted residual factors for all reflections included in the refinement	0.1401
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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