Crystallography Open Database

Information card for entry 7061807

Preview

Coordinates	7061807.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H30 N3 O24 Y
Calculated formula	C20 H30 N3 O24 Y
Title of publication	A new crown-ether clathrate [15-crown-5][Y(NO3)2(H2O)5][NO3] with switchable dielectric constant behaviour
Authors of publication	Xiang, Lin; Luo, Wang; Yue, Zhi-Yuan; Huang, Yi-Fang; Wang, Na; Miao, Le-Ping; Ye, Heng-Yun; Shi, Chao
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	38
Pages of publication	18512 - 18517
a	12.3188 ± 0.0015 Å
b	10.418 ± 0.0008 Å
c	27.072 ± 0.002 Å
α	90°
β	91.832 ± 0.009°
γ	90°
Cell volume	3472.6 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.2026
Residual factor for significantly intense reflections	0.1594
Weighted residual factors for significantly intense reflections	0.4019
Weighted residual factors for all reflections included in the refinement	0.4207
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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