Crystallography Open Database

Information card for entry 7232440

Preview

Coordinates	7232440.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H44 N2 O12 Zn3
Calculated formula	C40 H44 N2 O12 Zn3
Title of publication	A pair of homochiral trinuclear Zn(ii) clusters exhibiting unusual ferroelectric behaviour at high temperature
Authors of publication	Liu, Meiying; Yu, Haiyang; Liu, Zhiliang
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	14
Pages of publication	2355
a	10.5958 ± 0.0017 Å
b	17.944 ± 0.002 Å
c	11.8027 ± 0.0019 Å
α	90°
β	107.323 ± 0.006°
γ	90°
Cell volume	2142.3 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0692
Residual factor for significantly intense reflections	0.0658
Weighted residual factors for significantly intense reflections	0.1942
Weighted residual factors for all reflections included in the refinement	0.1991
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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