Crystallography Open Database

Information card for entry 7227812

Preview

Coordinates	7227812.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H14 Cd Cl3 N
Calculated formula	C6 H14 Cd Cl3 N
Title of publication	High temperature structural phase transition and dielectric relaxation in an organic‒inorganic hybrid compound: (4-methylpiperidinium)CdCl3
Authors of publication	Lu, Yang; Wang, Zhongxia; Chen, Hai-Peng; Ge, Jia-Zhen
Journal of publication	CrystEngComm
Year of publication	2017
Journal volume	19
Journal issue	14
Pages of publication	1896
a	6.7868 ± 0.0014 Å
b	20.823 ± 0.004 Å
c	7.4953 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	1059.2 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0536
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.0909
Weighted residual factors for all reflections included in the refinement	0.0932
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
195036 (current)	2017-04-05	cif/ Updating files of 7227812, 7227813 Original log message: Adding full bibliography for 7227812--7227813.cif.	7227812.cif
194073	2017-03-08	cif/ Adding structures of 7227812, 7227813 via cif-deposit CGI script.	7227812.cif