Crystallography Open Database

Information card for entry 7702177

Preview

Coordinates	7702177.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H14 Br Cd Cl5 N2
Calculated formula	C4 H14 Br Cd Cl5 N2
Title of publication	Tunable dielectric transitions in layered organic-inorganic hybrid perovskite-type compounds: [NH<sub>3</sub>(CH<sub>2</sub>)<sub>2</sub>Cl]<sub>2</sub>[CdCl<sub>4-4x</sub>Br<sub>4x</sub>] (x = 0, 1/4, 1).
Authors of publication	Chen, Hai-Peng; Shi, Ping-Ping; Wang, Zhong-Xia; Gao, Ji-Xing; Zhang, Wan-Ying; Chen, Cheng; Tang, Yuan-Yuan; Fu, Da-Wei
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	20
Pages of publication	7005 - 7012
a	7.649 ± 0.011 Å
b	24.42 ± 0.04 Å
c	7.579 ± 0.01 Å
α	90°
β	90°
γ	90°
Cell volume	1416 ± 4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	41
Hermann-Mauguin space group symbol	A e a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.0966
Residual factor for significantly intense reflections	0.0826
Weighted residual factors for significantly intense reflections	0.2524
Weighted residual factors for all reflections included in the refinement	0.2938
Goodness-of-fit parameter for all reflections included in the refinement	1.193
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
236825 (current)	2019-11-24	cif/ Adding structures of 7702174, 7702175, 7702176, 7702177 via cif-deposit CGI script.	7702177.cif