Crystallography Open Database

Information card for entry 4349741

Preview

Coordinates	4349741.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	N-methylpyrrolidinium cadmium trichloride
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	14.8934 ± 0.001 Å
b	6.7188 ± 0.0003 Å
c	9.9423 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	994.88 ± 0.09 Å³
Cell temperature	280 ± 2 K
Ambient diffraction temperature	280 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0444
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.0693
Weighted residual factors for all reflections included in the refinement	0.0777
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
235782 (current)	2019-11-24	cif/ Adding structures of 4349741, 4349742 via cif-deposit CGI script.	4349741.cif