Crystallography Open Database

Information card for entry 7246223

Preview

Coordinates	7246223.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H22 Cd Cl4 F2 N2
Calculated formula	C16 H22 Cd Cl4 F2 N2
Title of publication	Two-dimensional organic–inorganic hybrid perovskite ferroelastics: (PEA)2[CdCl4], (3-FPEA)2[CdCl4], and (4-FPEA)2[CdCl4]
Authors of publication	Yue, Zhi-Yuan; Luo, Wang; Wang, Na; Li, Hua-Kai; Xu, Ze-Jiang; Feng, Yan; Shi, Chao; Ye, Heng-Yun; Miao, Le-Ping
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	8
Pages of publication	1270 - 1275
a	20.0721 ± 0.0017 Å
b	7.3523 ± 0.0006 Å
c	7.4427 ± 0.0005 Å
α	90°
β	94.274 ± 0.007°
γ	90°
Cell volume	1095.31 ± 0.15 Å³
Cell temperature	293 ± 0.1 K
Ambient diffraction temperature	293 ± 0.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0514
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.1071
Weighted residual factors for all reflections included in the refinement	0.1133
Goodness-of-fit parameter for all reflections included in the refinement	0.993
Diffraction radiation probe	x-ray
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
281415 (current)	2023-03-04	cif/ Updating files of 7246220, 7246221, 7246222, 7246223, 7246224, 7246225 Original log message: Adding full bibliography for 7246220--7246225.cif.	7246223.cif
280712	2023-02-01	cif/ Adding structures of 7246220, 7246221, 7246222, 7246223, 7246224, 7246225 via cif-deposit CGI script.	7246223.cif