Crystallography Open Database

Information card for entry 7232504

Preview

Coordinates	7232504.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H14 Cd Cl3 N
Calculated formula	C5 H14 Cd Cl3 N
Title of publication	Reversible high temperature dielectric switching in a 2H-perovskite compound: [Me3NCH2CH3]CdCl3
Authors of publication	Sun, Dong-Sheng; Zhang, Yao-Zu; Gao, Ji-Xing; Hua, Xiu-Ni; Chen, Xiao-Gang; Mei, Guang-Quan; Liao, Wei-Qiang
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	16
Pages of publication	2669
a	16.0893 ± 0.0006 Å
b	6.8295 ± 0.0003 Å
c	18.8185 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2067.81 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.066
Residual factor for significantly intense reflections	0.0555
Weighted residual factors for significantly intense reflections	0.1624
Weighted residual factors for all reflections included in the refinement	0.1704
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
223608 (current)	2019-11-07	cif/ Updating files of 7232504, 7232505 Original log message: Adding full bibliography for 7232504--7232505.cif.	7232504.cif
214198	2019-03-20	cif/ Adding structures of 7232504, 7232505 via cif-deposit CGI script.	7232504.cif