Crystallography Open Database

Information card for entry 7246221

Preview

Coordinates	7246221.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 Cd Cl4 F2 N2
Calculated formula	C16 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	5.3186 ± 0.0004 Å
b	5.3186 ± 0.0004 Å
c	40.261 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	1138.9 ± 0.3 Å³
Cell temperature	403.02 ± 0.1 K
Ambient diffraction temperature	403.02 ± 0.1 K
Number of distinct elements	5
Space group number	139
Hermann-Mauguin space group symbol	I 4/m m m
Hall space group symbol	-I 4 2
Residual factor for all reflections	0.0525
Residual factor for significantly intense reflections	0.0483
Weighted residual factors for significantly intense reflections	0.1316
Weighted residual factors for all reflections included in the refinement	0.1353
Goodness-of-fit parameter for all reflections included in the refinement	1.138
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7246221.cif
280712	2023-02-01	cif/ Adding structures of 7246220, 7246221, 7246222, 7246223, 7246224, 7246225 via cif-deposit CGI script.	7246221.cif