Crystallography Open Database

Information card for entry 7228935

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Coordinates	7228935.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H88 Cl Ho N26 O38
Calculated formula	C44 H48 Cl Ho N26 O28
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	22.377 ± 0.004 Å
b	12.44 ± 0.002 Å
c	26.896 ± 0.007 Å
α	90°
β	111.367 ± 0.003°
γ	90°
Cell volume	6972 ± 2 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
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	0.0659
Residual factor for significantly intense reflections	0.0592
Weighted residual factors for significantly intense reflections	0.1528
Weighted residual factors for all reflections included in the refinement	0.1577
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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