Crystallography Open Database

Information card for entry 7711298

Preview

Coordinates	7711298.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H22 Cl6 N2 Zn
Calculated formula	C16 H22 Cl6 N2 Zn
SMILES	c1([NH+](C)C)cc(ccc1)Cl.Cl[Zn](Cl)([Cl-])[Cl-].[NH+](c1cccc(Cl)c1)(C)C
Title of publication	Metal ion induced dual switchable dielectric and luminescent properties in hybrid halides
Authors of publication	Liu, Jia; Han, Li-Jun; Shao, Ting; Su, Chang-Yuan; Chen, Ming; Huang, Pei-Zhi; Jia, Qiang-Qiang; Fu, Da-Wei; Lu, Hai-Feng
Journal of publication	Dalton Transactions
Year of publication	2022
a	7.4644 ± 0.0003 Å
b	7.7388 ± 0.0003 Å
c	20.7344 ± 0.0009 Å
α	93.993 ± 0.002°
β	95.268 ± 0.002°
γ	111.277 ± 0.002°
Cell volume	1104.52 ± 0.08 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0743
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.0805
Weighted residual factors for all reflections included in the refinement	0.0988
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
277973 (current)	2022-09-19	cif/ Adding structures of 7711293, 7711294, 7711295, 7711296, 7711297, 7711298, 7711299 via cif-deposit CGI script.	7711298.cif