Crystallography Open Database

Information card for entry 7231479

Preview

Coordinates	7231479.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H11 Cl4 Cu N
Calculated formula	C4 H11 Cl4 Cu N
Title of publication	Switchable dielectric phase transition behaviors in two organic‒inorganic copper(ii) halides with distinct coordination geometries
Authors of publication	Mei, Ying-Xuan; Hua, Xiu-Ni; Gao, Ji-Xing; Liao, Wei-Qiang
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	40
Pages of publication	6261
a	6.411 ± 0.0008 Å
b	8.835 Å
c	9.7295 ± 0.0002 Å
α	66.616 ± 0.013°
β	82.87 ± 0.02°
γ	79.14 ± 0.02°
Cell volume	496.02 ± 0.08 Å³
Cell temperature	343 ± 2 K
Ambient diffraction temperature	343 ± 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	0.0389
Residual factor for significantly intense reflections	0.0291
Weighted residual factors for significantly intense reflections	0.0561
Weighted residual factors for all reflections included in the refinement	0.0587
Goodness-of-fit parameter for all reflections included in the refinement	0.992
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
229051 (current)	2019-11-17	cif/ Updating files of 7231477, 7231478, 7231479 Original log message: Adding full bibliography for 7231477--7231479.cif.	7231479.cif
210367	2018-09-04	cif/ Adding structures of 7231477, 7231478, 7231479 via cif-deposit CGI script.	7231479.cif