Crystallography Open Database

Information card for entry 7044061

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Coordinates	7044061.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H40 Cl4 Cu N2 O6
Calculated formula	C18 H40.3334 Cl4 Cu N2 O6
Title of publication	A room temperature reversible phase transition containing dielectric switch of a host-guest supramolecular metal-halide compound
Authors of publication	Lu, Yang; Hua, Xiuni; Liao, Wei-Qiang; Gao, Jixing; Yin, Zi
Journal of publication	Dalton Trans.
Year of publication	2017
a	10.139 ± 0.009 Å
b	25.8 ± 0.02 Å
c	11.062 ± 0.01 Å
α	90°
β	97.988 ± 0.012°
γ	90°
Cell volume	2866 ± 4 Å³
Cell temperature	323 ± 2 K
Ambient diffraction temperature	323 ± 2 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	0.2035
Residual factor for significantly intense reflections	0.1548
Weighted residual factors for significantly intense reflections	0.2031
Weighted residual factors for all reflections included in the refinement	0.2232
Goodness-of-fit parameter for all reflections included in the refinement	1.327
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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