Crystallography Open Database

Information card for entry 1568300

Preview

Coordinates	1568300.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H8 Cl3 N Ni
Calculated formula	C4 H11 Cl3 N Ni
Title of publication	A nickel(ii)-based one-dimensional organic-inorganic halide perovskite ferroelectric with the highest Curie temperature.
Authors of publication	Ni, Hao-Fei; Ye, Lou-Kai; Zhuge, Peng-Cheng; Hu, Bo-Lan; Lou, Jia-Rui; Su, Chang-Yuan; Zhang, Zhi-Xu; Xie, Li-Yan; Fu, Da-Wei; Zhang, Yi
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	7
Pages of publication	1781 - 1786
a	7.35 ± 0.03 Å
b	17.78 ± 0.07 Å
c	6.23 ± 0.02 Å
α	90°
β	90°
γ	90°
Cell volume	814 ± 5 Å³
Cell temperature	453 ± 2 K
Ambient diffraction temperature	453 ± 2 K
Number of distinct elements	5
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.0755
Residual factor for significantly intense reflections	0.0612
Weighted residual factors for significantly intense reflections	0.1752
Weighted residual factors for all reflections included in the refinement	0.1863
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
281380 (current)	2023-03-04	cif/ Updating files of 1568299, 1568300 Original log message: Adding full bibliography for 1568299--1568300.cif.	1568300.cif
280443	2023-01-20	cif/ Adding structures of 1568299, 1568300 via cif-deposit CGI script.	1568300.cif