Crystallography Open Database

Information card for entry 4349742

Preview

Coordinates	4349742.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	N-methylpyrrolidinium cadmium trichloride [NMPCC]
Formula	C5 H12 Cd Cl3 N
Calculated formula	C5 H12 Cd Cl3 N
Title of publication	[C5H12N]CdCl3: an ABX3 perovskite-type semiconducting switchable dielectric phase transition material
Authors of publication	Zeb, Aurang; Sun, Zhihua; Khan, Tariq; Asghar, Muhammad Adnan; Wu, Zhenyue; Li, Lina; Ji, Chengmin; Luo, Junhua
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2017
Journal volume	4
Journal issue	9
Pages of publication	1485
a	6.6875 ± 0.0004 Å
b	10.0809 ± 0.0005 Å
c	14.5347 ± 0.001 Å
α	90°
β	92.298 ± 0.005°
γ	90°
Cell volume	979.08 ± 0.1 Å³
Cell temperature	230 ± 2 K
Ambient diffraction temperature	230 ± 2 K
Number of distinct elements	5
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	0.1053
Residual factor for significantly intense reflections	0.0961
Weighted residual factors for significantly intense reflections	0.2612
Weighted residual factors for all reflections included in the refinement	0.268
Goodness-of-fit parameter for all reflections included in the refinement	1.177
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
235782 (current)	2019-11-24	cif/ Adding structures of 4349741, 4349742 via cif-deposit CGI script.	4349742.cif